[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C21H17Cl3N2O4S MolecularWeight: 499.79468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)Cl)Cl

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4)Cl)Cl

InChI

InChI=1S/C21H17Cl3N2O4S/c1-12-4-6-14-16(23)11-17(24)20(19(14)25-12)30-21(27)13-5-7-15(22)18(10-13)31(28,29)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3