benzenesulfonic acid; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: benzenesulfonic acid; 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: benzenesulfonic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: benzenesulfonic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: benzenesulfonic acid; 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: besylic acid; 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(methylamino)piperidino]quinoline-3-carboxylic acid Formula: C26H30FN3O7S MolecularWeight: 547.595703

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H24FN3O4.C6H6O3S/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;7-10(8,9)6-4-2-1-3-5-6/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);1-5H,(H,7,8,9)