3-[2-[methyl(phenylsulfonyl)amino]-1,3-thiazol-4-yl]-2-oxidanylidene-1H-quinoline-7-carboxylic acid

Systemtic Name: 3-[2-[methyl(phenylsulfonyl)amino]-1,3-thiazol-4-yl]-2-oxidanylidene-1H-quinoline-7-carboxylic acid Openeye Name: 3-[2-[benzenesulfonyl(methyl)amino]thiazol-4-yl]-2-oxo-1H-quinoline-7-carboxylic acid CAS Name: 3-[2-[benzenesulfonyl(methyl)amino]-4-thiazolyl]-2-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 3-[2-[benzenesulfonyl(methyl)amino]-1,3-thiazol-4-yl]-2-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-[2-[besyl(methyl)amino]thiazol-4-yl]-2-keto-1H-quinoline-7-carboxylic acid Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=CS1)C2=CC3=C(C=C(C=C3)C(=O)O)NC2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=NC(=CS1)C2=CC3=C(C=C(C=C3)C(=O)O)NC2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O5S2/c1-23(30(27,28)14-5-3-2-4-6-14)20-22-17(11-29-20)15-9-12-7-8-13(19(25)26)10-16(12)21-18(15)24/h2-11H,1H3,(H,21,24)(H,25,26)