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

Systemtic Name: N-[(1S)-1-phenylbutyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-phenylbutyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1S)-1-phenylbutyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1S)-1-phenylbutyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-phenylbutyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H27N3O3S2/c1-2-8-19(17-9-4-3-5-10-17)23-20(25)16-28-21-12-11-18(15-22-21)29(26,27)24-13-6-7-14-24/h3-5,9-12,15,19H,2,6-8,13-14,16H2,1H3,(H,23,25)/t19-/m0/s1