4-[[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(4-methylsulfonylphenyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[(4-mesylbenzyl)carbamoyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O6S/c1-35(33,34)21-9-4-17(5-10-21)14-28-25(30)19-8-11-23-22(13-19)24(29)20(15-27-23)12-16-2-6-18(7-3-16)26(31)32/h2-11,13,15H,12,14H2,1H3,(H,27,29)(H,28,30)(H,31,32)