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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]benzenesulfonamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S2/c1-13-5-7-14(8-6-13)12-23-10-9-17-24(21,22)16-4-2-3-15(11-16)18(19)20/h2-8,11,17H,9-10,12H2,1H3