6-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-oxidanylidene-1H-quinoline-3-carboxylic acid Openeye Name: 6-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid CAS Name: 6-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]-4-oxo-1H-quinoline-3-carboxylic acid IUPAC Name: 6-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid Traditional Name: 6-(4-carbethoxypiperazino)sulfonyl-4-keto-1H-quinoline-3-carboxylic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O

InChI

InChI=1S/C17H19N3O7S/c1-2-27-17(24)19-5-7-20(8-6-19)28(25,26)11-3-4-14-12(9-11)15(21)13(10-18-14)16(22)23/h3-4,9-10H,2,5-8H2,1H3,(H,18,21)(H,22,23)