2-[1-(4-methoxyphenyl)sulfonyl-2-(1-sulfanylethyl)piperidin-2-yl]-2-oxidanylidene-ethanethial

Systemtic Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-(1-sulfanylethyl)piperidin-2-yl]-2-oxidanylidene-ethanethial Openeye Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-(1-sulfanylethyl)-2-piperidyl]-2-oxo-ethanethial CAS Name: 2-[2-(1-mercaptoethyl)-1-(4-methoxyphenyl)sulfonyl-2-piperidinyl]-2-oxoethanethial IUPAC Name: 2-[1-(4-methoxyphenyl)sulfonyl-2-(1-sulfanylethyl)piperidin-2-yl]-2-oxoethanethial Traditional Name: 2-keto-2-[2-(1-mercaptoethyl)-1-(4-methoxyphenyl)sulfonyl-2-piperidyl]thioacetaldehyde Formula: C16H21NO4S3 MolecularWeight: 387.53724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C=S)S

Isomeric SMILES

CC(C1(CCCCN1S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)C=S)S

InChI

InChI=1S/C16H21NO4S3/c1-12(23)16(15(18)11-22)9-3-4-10-17(16)24(19,20)14-7-5-13(21-2)6-8-14/h5-8,11-12,23H,3-4,9-10H2,1-2H3