N-(2,4-dimethylphenyl)-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N3O4S/c1-15-8-10-19(16(2)12-15)23-29(27,28)18-9-11-20(21(13-18)24(25)26)22-14-17-6-4-3-5-7-17/h3-13,22-23H,14H2,1-2H3