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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-methylquinoline-4-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O5S/c1-17-15-20(19-9-5-6-10-21(19)24-17)23(28)31-16-22(27)25-11-13-26(14-12-25)32(29,30)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3