N-(2-methylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]-N-(o-tolyl)acetamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

InChI

InChI=1S/C23H25N3O3S2/c1-16-7-3-4-8-20(16)24-22(27)15-30-23-13-17(2)19-14-18(9-10-21(19)25-23)31(28,29)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,24,27)