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

Systemtic Name: N-methyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide Openeye Name: 4-(benzylamino)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[(phenylmethyl)amino]benzenesulfonamide IUPAC Name: 4-(benzylamino)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzylamino)-N-methyl-3-nitro-benzenesulfonamide Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4S/c1-15-22(20,21)12-7-8-13(14(9-12)17(18)19)16-10-11-5-3-2-4-6-11/h2-9,15-16H,10H2,1H3