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

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-3-nitro-benzenesulfonamide Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c14-21(19,20)11-6-7-12(13(8-11)16(17)18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H2,14,19,20)