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

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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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)N3CCCCC3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N4O3S2/c1-18(22(27)26(16-8-13-23)19-9-4-2-5-10-19)30-21-12-11-20(17-24-21)31(28,29)25-14-6-3-7-15-25/h2,4-5,9-12,17-18H,3,6-8,14-16H2,1H3