N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-N-(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C21H23ClN4O3S2 MolecularWeight: 479.01532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC#N)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-16-13-17(5-7-19(16)22)26(12-4-9-23)21(27)15-30-20-8-6-18(14-24-20)31(28,29)25-10-2-3-11-25/h5-8,13-14H,2-4,10-12,15H2,1H3