2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-N-phenyl-butanamide

Systemtic Name: 2-(4-methyl-6-pyrrolidin-1-ylsulfonyl-quinolin-2-yl)sulfanyl-N-phenyl-butanamide Openeye Name: 2-[(4-methyl-6-pyrrolidin-1-ylsulfonyl-2-quinolyl)sulfanyl]-N-phenyl-butanamide CAS Name: 2-[[4-methyl-6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]thio]-N-phenylbutanamide IUPAC Name: 2-(4-methyl-6-pyrrolidin-1-ylsulfonylquinolin-2-yl)sulfanyl-N-phenylbutanamide Traditional Name: 2-[(4-methyl-6-pyrrolidinosulfonyl-2-quinolyl)thio]-N-phenyl-butyramide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=C2)C

InChI

InChI=1S/C24H27N3O3S2/c1-3-22(24(28)25-18-9-5-4-6-10-18)31-23-15-17(2)20-16-19(11-12-21(20)26-23)32(29,30)27-13-7-8-14-27/h4-6,9-12,15-16,22H,3,7-8,13-14H2,1-2H3,(H,25,28)