N-[3-(3-methylphenyl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3-methylphenyl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(m-tolyl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3-methylphenyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylphenyl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(m-tolyl)propyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-13-5-2-6-14(11-13)7-4-10-17-23(21,22)16-9-3-8-15(12-16)18(19)20/h2-3,5-6,8-9,11-12,17H,4,7,10H2,1H3