[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C26H21ClN2O5S MolecularWeight: 508.97334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN2O5S/c1-16-24(19-10-6-7-11-21(19)29-25(16)17-8-4-3-5-9-17)26(31)34-15-23(30)28-22-14-18(35(2,32)33)12-13-20(22)27/h3-14H,15H2,1-2H3,(H,28,30)