6-(ethylsulfonylamino)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-(ethylsulfonylamino)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-6-(ethylsulfonylamino)quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-(esylamino)cinchoninic acid Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C(C)CC(C)C

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C(C)CC(C)C

InChI

InChI=1S/C22H32N4O4S/c1-5-31(29,30)24-17-6-7-20-18(13-17)19(22(27)28)14-21(23-20)26-10-8-25(9-11-26)16(4)12-15(2)3/h6-7,13-16,24H,5,8-12H2,1-4H3,(H,27,28)