N-[1-(4-methylphenyl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-2-nitro-benzenesulfonamide Openeye Name: 2-nitro-N-[1-(p-tolyl)propyl]benzenesulfonamide CAS Name: N-[1-(4-methylphenyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-2-nitrobenzenesulfonamide Traditional Name: 2-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/c1-3-14(13-10-8-12(2)9-11-13)17-23(21,22)16-7-5-4-6-15(16)18(19)20/h4-11,14,17H,3H2,1-2H3