S-[2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-(4-methylpiperidino)sulfonylphenyl]ethyl] ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC(=O)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC(=O)C

InChI

InChI=1S/C16H21NO4S2/c1-12-7-9-17(10-8-12)23(20,21)15-5-3-14(4-6-15)16(19)11-22-13(2)18/h3-6,12H,7-11H2,1-2H3