N-[3-(4-methylphenyl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-methylphenyl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[3-(p-tolyl)propyl]benzenesulfonamide CAS Name: N-[3-(4-methylphenyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-methylphenyl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[3-(p-tolyl)propyl]benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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