6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(dimethylsulfamoylamino)-2-[4-(4-methoxyphenyl)piperazino]cinchoninic acid Formula: C23H27N5O5S MolecularWeight: 485.55598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)S(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N5O5S/c1-26(2)34(31,32)25-16-4-9-21-19(14-16)20(23(29)30)15-22(24-21)28-12-10-27(11-13-28)17-5-7-18(33-3)8-6-17/h4-9,14-15,25H,10-13H2,1-3H3,(H,29,30)