2-(cyanomethylsulfanyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]acetamide CAS Name: 2-(cyanomethylthio)-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]acetamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide Traditional Name: 2-(cyanomethylthio)-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]acetamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC#N

InChI

InChI=1S/C16H21N3O4S2/c1-23-14-2-4-15(5-3-14)25(21,22)19-9-6-13(7-10-19)18-16(20)12-24-11-8-17/h2-5,13H,6-7,9-12H2,1H3,(H,18,20)