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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)S(=O)(=O)N5CCCCC5

InChI

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