N-[(2-methylphenyl)-phenyl-methyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2-methylphenyl)-phenyl-methyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[o-tolyl(phenyl)methyl]benzenesulfonamide CAS Name: N-[(2-methylphenyl)-phenylmethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2-methylphenyl)-phenylmethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[o-tolyl(phenyl)methyl]benzenesulfonamide Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O4S/c1-15-8-5-6-13-19(15)20(16-9-3-2-4-10-16)21-27(25,26)18-12-7-11-17(14-18)22(23)24/h2-14,20-21H,1H3