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

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H31N3O3S2 MolecularWeight: 413.59774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O3S2/c1-15(2)7-8-16(3)21-18(23)14-26-19-10-9-17(13-20-19)27(24,25)22-11-5-4-6-12-22/h9-10,13,15-16H,4-8,11-12,14H2,1-3H3,(H,21,23)/t16-/m0/s1