[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O5S/c23-17-6-8-18(9-7-17)32(29,30)26-13-11-25(12-14-26)21(27)15-31-22(28)20-10-5-16-3-1-2-4-19(16)24-20/h1-10H,11-15H2