2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)butyramide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4C(=C3)C

InChI

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