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

Systemtic Name: 4-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzenesulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-4-nitro-benzenesulfonamide CAS Name: 4-nitro-N-[2-(phenylmethylthio)ethyl]benzenesulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-nitrobenzenesulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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