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

Systemtic Name: 4-[(4-azanyl-3-methoxy-phenyl)amino]-N-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonamide Openeye Name: 4-(4-amino-3-methoxy-anilino)-3-nitro-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: 4-(4-amino-3-methoxyanilino)-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-amino-3-methoxyanilino)-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-amino-3-methoxy-anilino)-3-nitro-N-tosyl-benzenesulfonamide Formula: C20H20N4O7S2 MolecularWeight: 492.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=C(C=C3)N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=C(C=C3)N)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S2/c1-13-3-6-15(7-4-13)32(27,28)23-33(29,30)16-8-10-18(19(12-16)24(25)26)22-14-5-9-17(21)20(11-14)31-2/h3-12,22-23H,21H2,1-2H3