2-(4-ethylpiperazin-1-yl)-6-(ethylsulfonylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-ethylpiperazin-1-yl)-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Openeye Name: 2-(4-ethylpiperazin-1-yl)-6-(ethylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 2-(4-ethyl-1-piperazinyl)-6-(ethylsulfonylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-ethylpiperazin-1-yl)-6-(ethylsulfonylamino)quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-(4-ethylpiperazino)cinchoninic acid Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)CC)C(=C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)CC)C(=C2)C(=O)O

InChI

InChI=1S/C18H24N4O4S/c1-3-21-7-9-22(10-8-21)17-12-15(18(23)24)14-11-13(5-6-16(14)19-17)20-27(25,26)4-2/h5-6,11-12,20H,3-4,7-10H2,1-2H3,(H,23,24)