7-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methyl-1-piperazinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfonyl]-3-methyl-piperazino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H23FN6O6S2 MolecularWeight: 538.572323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=NN=C(S2)N)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=NN=C(S2)N)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C21H23FN6O6S2/c1-10-8-26(5-6-28(10)36(32,33)21-25-24-20(23)35-21)16-14(22)7-12-15(18(16)34-2)27(11-3-4-11)9-13(17(12)29)19(30)31/h7,9-11H,3-6,8H2,1-2H3,(H2,23,24)(H,30,31)