2-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-phenyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-phenyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-phenyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]-1-pyrrolidino-ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3S2/c26-22(24-13-7-8-14-24)21(18-9-3-1-4-10-18)29-20-12-11-19(17-23-20)30(27,28)25-15-5-2-6-16-25/h1,3-4,9-12,17,21H,2,5-8,13-16H2