2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]acetamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidinyl]acetamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]acetamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-28-19-5-7-20(8-6-19)30(26,27)24-11-9-18(10-12-24)23-21(25)15-29-14-16-3-2-4-17(22)13-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)