1-[4-(phenylmethyl)piperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S2/c27-23(25-14-10-20(11-15-25)16-19-6-2-1-3-7-19)18-30-22-9-8-21(17-24-22)31(28,29)26-12-4-5-13-26/h1-3,6-9,17,20H,4-5,10-16,18H2