N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(3,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C)C

InChI

InChI=1S/C24H27N3O3S2/c1-16-12-17(2)23-19(13-16)14-18(3)24(26-23)31-15-22(28)25-20-6-8-21(9-7-20)32(29,30)27-10-4-5-11-27/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,25,28)