3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzenesulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[2-(phenylmethylthio)ethyl]benzenesulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-3-nitro-benzenesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S2/c18-17(19)14-7-4-8-15(11-14)23(20,21)16-9-10-22-12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2