[1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 7-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl] 7-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 7-methoxy-2-methyl-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] 7-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 7-methoxy-2-methyl-quinoline-3-carboxylic acid [2-(4-besylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OC(C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O6S/c1-17-22(15-19-9-10-20(33-3)16-23(19)26-17)25(30)34-18(2)24(29)27-11-13-28(14-12-27)35(31,32)21-7-5-4-6-8-21/h4-10,15-16,18H,11-14H2,1-3H3