N-(4-ethylphenyl)-4-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(4-ethylphenyl)-4-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide Openeye Name: N-(4-ethylphenyl)-4-oxo-3-[4-(2-pyridyl)piperazine-1-carbonyl]-1H-quinoline-6-sulfonamide CAS Name: N-(4-ethylphenyl)-4-oxo-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N-(4-ethylphenyl)-4-oxo-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: N-(4-ethylphenyl)-4-keto-3-[4-(2-pyridyl)piperazine-1-carbonyl]-1H-quinoline-6-sulfonamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H27N5O4S/c1-2-19-6-8-20(9-7-19)30-37(35,36)21-10-11-24-22(17-21)26(33)23(18-29-24)27(34)32-15-13-31(14-16-32)25-5-3-4-12-28-25/h3-12,17-18,30H,2,13-16H2,1H3,(H,29,33)