2-[7-[4-[[[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]methyl]phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[7-[4-[[[2-[3-(methylsulfonylamino)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]methyl]phenyl]-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-[4-[[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]phenyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid CAS Name: 2-[7-[4-[[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]phenyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid IUPAC Name: 2-[7-[4-[[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]phenyl]-2-oxo-3,4-dihydro-1H-quinolin-3-yl]acetic acid Traditional Name: 2-[7-[4-[[[2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]methyl]phenyl]-2-keto-3,4-dihydro-1H-quinolin-3-yl]acetic acid Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCC2=CC=C(C=C2)C3=CC4=C(CC(C(=O)N4)CC(=O)O)C=C3)O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(CNCC2=CC=C(C=C2)C3=CC4=C(CC(C(=O)N4)CC(=O)O)C=C3)O)O

InChI

InChI=1S/C27H29N3O7S/c1-38(36,37)30-23-12-20(8-9-24(23)31)25(32)15-28-14-16-2-4-17(5-3-16)18-6-7-19-10-21(13-26(33)34)27(35)29-22(19)11-18/h2-9,11-12,21,25,28,30-32H,10,13-15H2,1H3,(H,29,35)(H,33,34)