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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-2-17(18-8-4-3-5-9-18)14-22-20(25)16-28-21-11-10-19(15-23-21)29(26,27)24-12-6-7-13-24/h3-5,8-11,15,17H,2,6-7,12-14,16H2,1H3,(H,22,25)/t17-/m1/s1