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

Systemtic Name: 4-methyl-3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]benzenesulfonamide Openeye Name: N-(2-benzylsulfanylethyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[2-(phenylmethylthio)ethyl]benzenesulfonamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(benzylthio)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

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