[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C29H26ClN3O5S MolecularWeight: 564.05184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C29H26ClN3O5S/c1-19-27(24-9-2-3-10-25(24)32-28(19)20-7-6-8-21(30)17-20)29(35)38-18-26(34)31-22-11-13-23(14-12-22)39(36,37)33-15-4-5-16-33/h2-3,6-14,17H,4-5,15-16,18H2,1H3,(H,31,34)