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

Systemtic Name: 6-(ethylsulfonylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-(ethylsulfonylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-(4-propyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-(4-propylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-(4-propylpiperazino)cinchoninic acid Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)CC)C(=C2)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)CC)C(=C2)C(=O)O

InChI

InChI=1S/C19H26N4O4S/c1-3-7-22-8-10-23(11-9-22)18-13-16(19(24)25)15-12-14(5-6-17(15)20-18)21-28(26,27)4-2/h5-6,12-13,21H,3-4,7-11H2,1-2H3,(H,24,25)