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

Systemtic Name: 6-(dimethylsulfamoylamino)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(dimethylsulfamoylamino)quinoline-4-carboxylic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-6-(dimethylsulfamoylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-(dimethylsulfamoylamino)quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-6-(dimethylsulfamoylamino)cinchoninic acid Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)N(C)C)C(=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)N(C)C)C(=C3)C(=O)O

InChI

InChI=1S/C24H27N5O5S/c1-16(30)17-4-7-19(8-5-17)28-10-12-29(13-11-28)23-15-21(24(31)32)20-14-18(6-9-22(20)25-23)26-35(33,34)27(2)3/h4-9,14-15,26H,10-13H2,1-3H3,(H,31,32)