2-(phenylmethylsulfanyl)-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-[[2-(3-pyridyl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: 2-(phenylmethylthio)-N-[4-[[2-(3-pyridinyl)-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: 2-benzylsulfanyl-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(benzylthio)-N-[4-[2-(3-pyridyl)piperidino]sulfonylphenyl]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c29-25(19-32-18-20-7-2-1-3-8-20)27-22-11-13-23(14-12-22)33(30,31)28-16-5-4-10-24(28)21-9-6-15-26-17-21/h1-3,6-9,11-15,17,24H,4-5,10,16,18-19H2,(H,27,29)