[4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]phenyl]-pyrrolidino-methanone 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)SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3S2/c26-22(24-12-4-5-13-24)19-8-6-18(7-9-19)17-29-21-11-10-20(16-23-21)30(27,28)25-14-2-1-3-15-25/h6-11,16H,1-5,12-15,17H2