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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N4O3S2/c1-17(21(26)25(15-7-12-22)18-8-3-2-4-9-18)29-20-11-10-19(16-23-20)30(27,28)24-13-5-6-14-24/h2-4,8-11,16-17H,5-7,13-15H2,1H3