N-(2-cyclopentylsulfanylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-cyclopentylsulfanylphenyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-cyclopentylsulfanylphenyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(cyclopentylthio)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-cyclopentylsulfanylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopentylthio)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H27N3O3S2/c26-22(24-20-9-3-4-10-21(20)29-18-6-1-2-7-18)17-11-14-25(15-12-17)30(27,28)19-8-5-13-23-16-19/h3-5,8-10,13,16-18H,1-2,6-7,11-12,14-15H2,(H,24,26)