7-[(4-carboxyphenyl)methyl-naphthalen-2-ylsulfonyl-amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(4-carboxyphenyl)methyl-naphthalen-2-ylsulfonyl-amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(4-carboxyphenyl)methyl-(2-naphthylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(4-carboxyphenyl)methyl-(2-naphthalenylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(4-carboxyphenyl)methyl-naphthalen-2-ylsulfonylamino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(4-carboxybenzyl)-(2-naphthylsulfonyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C31H23FN2O7S MolecularWeight: 586.586923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)F)C(=O)O

InChI

InChI=1S/C31H23FN2O7S/c32-26-14-24-27(33(22-10-11-22)17-25(29(24)35)31(38)39)15-28(26)34(16-18-5-7-20(8-6-18)30(36)37)42(40,41)23-12-9-19-3-1-2-4-21(19)13-23/h1-9,12-15,17,22H,10-11,16H2,(H,36,37)(H,38,39)