N-[(4-azanyl-2-methyl-phenyl)-phenyl-sulfamoyl]-3-nitro-butane-1-sulfonamide

Systemtic Name: N-[(4-azanyl-2-methyl-phenyl)-phenyl-sulfamoyl]-3-nitro-butane-1-sulfonamide Openeye Name: N-[(4-amino-2-methyl-phenyl)-phenyl-sulfamoyl]-3-nitro-butane-1-sulfonamide CAS Name: N-[(4-amino-2-methylphenyl)-phenylsulfamoyl]-3-nitro-1-butanesulfonamide IUPAC Name: N-[(4-amino-2-methylphenyl)-phenylsulfamoyl]-3-nitrobutane-1-sulfonamide Traditional Name: N-[(4-amino-2-methyl-phenyl)-phenyl-sulfamoyl]-3-nitro-butane-1-sulfonamide Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6S2/c1-13-12-15(18)8-9-17(13)20(16-6-4-3-5-7-16)29(26,27)19-28(24,25)11-10-14(2)21(22)23/h3-9,12,14,19H,10-11,18H2,1-2H3