4-[(4-azanyl-2-methyl-phenyl)amino]-3-nitro-N-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: 4-[(4-azanyl-2-methyl-phenyl)amino]-3-nitro-N-(phenylsulfonyl)benzenesulfonamide Openeye Name: 4-(4-amino-2-methyl-anilino)-N-(benzenesulfonyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-amino-2-methylanilino)-N-(benzenesulfonyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-amino-2-methylanilino)-N-(benzenesulfonyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-amino-2-methyl-anilino)-N-besyl-3-nitro-benzenesulfonamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c1-13-11-14(20)7-9-17(13)21-18-10-8-16(12-19(18)23(24)25)31(28,29)22-30(26,27)15-5-3-2-4-6-15/h2-12,21-22H,20H2,1H3