N-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide

Systemtic Name: N-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-N-butyl-3-nitro-benzenesulfonamide CAS Name: N-butyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-N-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-N-butyl-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-2-3-11-19-25(23,24)15-9-10-16(17(12-15)20(21)22)18-13-14-7-5-4-6-8-14/h4-10,12,18-19H,2-3,11,13H2,1H3