N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-phenylpropyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(2-phenylpropyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-phenylpropyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2-phenylpropyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3

InChI

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