(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=O)NC5=CC=CC=C54

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C24H24N4O6S/c1-2-28-21-8-7-16(35(31,32)27-9-11-33-12-10-27)13-20(21)25-22(28)15-34-24(30)18-14-23(29)26-19-6-4-3-5-17(18)19/h3-8,13-14H,2,9-12,15H2,1H3,(H,26,29)