| CAS Number | 556020-33-8 |
| Catalog Number | AG019IGG |
| Chemical Name | N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzene-1-sulfonamide |
| IUPAC Name | N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C18H20N2O7S/c1-4-19(5-2)28(24,25)14-7-9-16(15(11-14)20(22)23)27-17-8-6-13(12-21)10-18(17)26-3/h6-12H,4-5H2,1-3H3 |
| InChI Key | WHTZJSQDGLZZJQ-UHFFFAOYSA-N |
| MDL Number | MFCD04612894 |
| Molecular Formula | C18H20N2O7S |
| Molecular Weight | 408.4256 |
| SMILES | CCN(S(C1=CC([N+]([O-])=O)=C(OC2=C(OC)C=C(C=O)C=C2)C=C1)(=O)=O)CC |
| Synonyms | N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzene-1-sulfonamide,
556020-33-8,
N,N-Diethyl-4-(4-formyl-2-methoxy-phenoxy)-3-nitro-benzenesulfonamide,
AC1MXUIR,
AC1Q2ZFX,
CTK6E8605,
ZINC3886637,
AKOS000914231,
MCULE-4392941176,
NE12882,
EN300-06652,
SR-01000045333,
SR-01000045333-1,
N,N-diethyl-4-(4-formyl-2-methoxyphenoxy)-3-nitrobenzenesulfonamide,
ZINC03886637,
CID3771609,
|
| Complexity | 627 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.425g/mol |
| Monoisotopic Mass | 408.099g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number