N-[1-(4-methylphenyl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[1-(p-tolyl)propyl]benzenesulfonamide CAS Name: N-[1-(4-methylphenyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[1-(p-tolyl)propyl]benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-3-16(13-9-7-12(2)8-10-13)17-23(21,22)15-6-4-5-14(11-15)18(19)20/h4-11,16-17H,3H2,1-2H3