N-[3-(3-methylphenyl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3-methylphenyl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(m-tolyl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(3-methylphenyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylphenyl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(m-tolyl)propyl]-2-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/c1-13-6-4-7-14(12-13)8-5-11-17-23(21,22)16-10-3-2-9-15(16)18(19)20/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3