[1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-(2-phenylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-(2-phenylsulfanylpyridine-3-carbonyl)-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-(2-phenylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[2-(phenylthio)nicotinoyl]-4-piperidyl]-pyrrolidino-methanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21(24-13-4-5-14-24)17-10-15-25(16-11-17)22(27)19-9-6-12-23-20(19)28-18-7-2-1-3-8-18/h1-3,6-9,12,17H,4-5,10-11,13-16H2