N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[2-(p-tolylsulfanyl)ethyl]benzenesulfonamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[2-(p-tolylthio)ethyl]benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S2/c1-12-5-7-14(8-6-12)22-10-9-16-23(20,21)15-4-2-3-13(11-15)17(18)19/h2-8,11,16H,9-10H2,1H3