2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(4-ethylphenyl)sulfonylamino]benzoic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC)C(=O)O

InChI

InChI=1S/C22H27N3O6S/c1-3-16-5-8-18(9-6-16)32(29,30)23-17-7-10-20(19(15-17)21(26)27)24-11-13-25(14-12-24)22(28)31-4-2/h5-10,15,23H,3-4,11-14H2,1-2H3,(H,26,27)