4-[(4-azanyl-3-methoxy-phenyl)amino]-3-nitro-N-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-3-methoxy-phenyl)amino]-3-nitro-N-(phenylsulfonyl)benzenesulfonamide Openeye Name: 4-(4-amino-3-methoxy-anilino)-N-(benzenesulfonyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-amino-3-methoxyanilino)-N-(benzenesulfonyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-amino-3-methoxyanilino)-N-(benzenesulfonyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-amino-3-methoxy-anilino)-N-besyl-3-nitro-benzenesulfonamide Formula: C19H18N4O7S2 MolecularWeight: 478.49882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H18N4O7S2/c1-30-19-11-13(7-9-16(19)20)21-17-10-8-15(12-18(17)23(24)25)32(28,29)22-31(26,27)14-5-3-2-4-6-14/h2-12,21-22H,20H2,1H3