N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C22H22ClN3O3S2/c1-15-12-22(25-19-7-3-2-6-17(15)19)30-14-21(27)24-20-13-16(8-9-18(20)23)31(28,29)26-10-4-5-11-26/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,24,27)