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

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C30H28ClN3O5S MolecularWeight: 578.07842

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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)N5CCCCC5

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)N5CCCCC5

InChI

InChI=1S/C30H28ClN3O5S/c1-20-28(25-10-3-4-11-26(25)33-29(20)21-8-7-9-22(31)18-21)30(36)39-19-27(35)32-23-12-14-24(15-13-23)40(37,38)34-16-5-2-6-17-34/h3-4,7-15,18H,2,5-6,16-17,19H2,1H3,(H,32,35)