4-(butylamino)-N-(2-methylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(butylamino)-N-(2-methylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(butylamino)-3-nitro-N-(o-tolyl)benzenesulfonamide CAS Name: 4-(butylamino)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(butylamino)-N-(2-methylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(butylamino)-3-nitro-N-(o-tolyl)benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-3-4-11-18-16-10-9-14(12-17(16)20(21)22)25(23,24)19-15-8-6-5-7-13(15)2/h5-10,12,18-19H,3-4,11H2,1-2H3