ethyl 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinolin-3-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxidanylidene-1H-quinolin-3-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[6-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-oxo-1H-quinolin-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-[4-(4-fluorophenyl)piperazino]sulfonyl-4-keto-1H-quinoline-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H30FN5O6S MolecularWeight: 571.620403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H30FN5O6S/c1-2-39-27(36)32-11-9-31(10-12-32)26(35)23-18-29-24-8-7-21(17-22(24)25(23)34)40(37,38)33-15-13-30(14-16-33)20-5-3-19(28)4-6-20/h3-8,17-18H,2,9-16H2,1H3,(H,29,34)