1-(3-nitrophenyl)-N-[2-(phenylmethylsulfanyl)ethyl]methanesulfonamide

Systemtic Name: 1-(3-nitrophenyl)-N-[2-(phenylmethylsulfanyl)ethyl]methanesulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide CAS Name: 1-(3-nitrophenyl)-N-[2-(phenylmethylthio)ethyl]methanesulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(3-nitrophenyl)methanesulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3-nitrophenyl)methanesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNS(=O)(=O)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c19-18(20)16-8-4-7-15(11-16)13-24(21,22)17-9-10-23-12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12-13H2