N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[1-(p-tolylsulfonyl)-4-piperidyl]acetamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide Traditional Name: 2-(benzylthio)-N-(1-tosyl-4-piperidyl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-17-7-9-20(10-8-17)28(25,26)23-13-11-19(12-14-23)22-21(24)16-27-15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,22,24)