3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[(4,8-dimethyl-2-quinolyl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H27N3O3S2/c1-17-6-5-7-21-18(2)16-23(26-24(17)21)31-15-12-22(28)25-19-8-10-20(11-9-19)32(29,30)27-13-3-4-14-27/h5-11,16H,3-4,12-15H2,1-2H3,(H,25,28)