[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] quinoline-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c26-21(16-30-22(27)20-11-10-17-6-4-5-9-19(17)23-20)24-12-14-25(15-13-24)31(28,29)18-7-2-1-3-8-18/h1-11H,12-16H2