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

Systemtic Name: N-[1-(phenylmethyl)piperidin-4-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O3S2/c28-22(25-20-10-14-26(15-11-20)17-19-6-2-1-3-7-19)18-31-23-9-8-21(16-24-23)32(29,30)27-12-4-5-13-27/h1-3,6-9,16,20H,4-5,10-15,17-18H2,(H,25,28)