6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-phenylpiperazino)-6-(p-phenetylsulfonylamino)cinchoninic acid Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O5S/c1-2-37-22-9-11-23(12-10-22)38(35,36)30-20-8-13-26-24(18-20)25(28(33)34)19-27(29-26)32-16-14-31(15-17-32)21-6-4-3-5-7-21/h3-13,18-19,30H,2,14-17H2,1H3,(H,33,34)