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

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-methoxyphenyl)piperazino]cinchoninic acid Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H30N4O5S/c1-3-20-4-11-24(12-5-20)39(36,37)31-21-6-13-27-25(18-21)26(29(34)35)19-28(30-27)33-16-14-32(15-17-33)22-7-9-23(38-2)10-8-22/h4-13,18-19,31H,3,14-17H2,1-2H3,(H,34,35)