N-[(2S)-2-phenylbutyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-phenylbutyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2S)-2-phenylbutyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2S)-2-phenylbutyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(2S)-2-phenylbutyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-2-18(19-9-5-3-6-10-19)15-23-21(26)17-29-22-12-11-20(16-24-22)30(27,28)25-13-7-4-8-14-25/h3,5-6,9-12,16,18H,2,4,7-8,13-15,17H2,1H3,(H,23,26)/t18-/m1/s1