7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H21FN6O6S2 MolecularWeight: 536.556443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(=O)NC1=NN=C(S1)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C21H21FN6O6S2/c1-11(29)23-20-24-25-21(35-20)36(33,34)27-6-4-26(5-7-27)17-9-16-13(8-15(17)22)18(30)14(19(31)32)10-28(16)12-2-3-12/h8-10,12H,2-7H2,1H3,(H,31,32)(H,23,24,29)