6-(dimethylsulfamoylamino)-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-(dimethylsulfamoylamino)-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-(dimethylsulfamoylamino)-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-(dimethylsulfamoylamino)-2-(4-phenyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-(dimethylsulfamoylamino)-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-(dimethylsulfamoylamino)-2-(4-phenylpiperazino)cinchoninic acid Formula: C22H25N5O4S MolecularWeight: 455.53

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4S/c1-25(2)32(30,31)24-16-8-9-20-18(14-16)19(22(28)29)15-21(23-20)27-12-10-26(11-13-27)17-6-4-3-5-7-17/h3-9,14-15,24H,10-13H2,1-2H3,(H,28,29)