3-[(7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl)amino]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-[[(7-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[(7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[(7-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl)amino]-2-(tosylamino)propionic acid Formula: C23H21ClFN3O6S MolecularWeight: 521.945743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)Cl)C4CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)Cl)C4CC4)C(=O)O

InChI

InChI=1S/C23H21ClFN3O6S/c1-12-2-6-14(7-3-12)35(33,34)27-19(23(31)32)10-26-22(30)16-11-28(13-4-5-13)20-9-17(24)18(25)8-15(20)21(16)29/h2-3,6-9,11,13,19,27H,4-5,10H2,1H3,(H,26,30)(H,31,32)