[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2,6-dimethylquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 2,6-dimethylquinoline-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 2,6-dimethylquinoline-3-carboxylate CAS Name: 2,6-dimethyl-3-quinolinecarboxylic acid [1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 2,6-dimethylquinoline-3-carboxylate Traditional Name: 2,6-dimethylquinoline-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)OC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5S/c1-17-9-10-23-20(15-17)16-22(18(2)26-23)25(30)33-19(3)24(29)27-11-13-28(14-12-27)34(31,32)21-7-5-4-6-8-21/h4-10,15-16,19H,11-14H2,1-3H3