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

Systemtic Name: 3-nitro-N-(phenylmethyl)-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: N-benzyl-4-(benzylamino)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-(phenylmethyl)-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: N-benzyl-4-(benzylamino)-3-nitrobenzenesulfonamide Traditional Name: N-benzyl-4-(benzylamino)-3-nitro-benzenesulfonamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c24-23(25)20-13-18(28(26,27)22-15-17-9-5-2-6-10-17)11-12-19(20)21-14-16-7-3-1-4-8-16/h1-13,21-22H,14-15H2