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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H31N3O3S2/c1-3-4-6-9-16(2)21-18(23)15-26-19-11-10-17(14-20-19)27(24,25)22-12-7-5-8-13-22/h10-11,14,16H,3-9,12-13,15H2,1-2H3,(H,21,23)/t16-/m0/s1