4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(p-phenetylsulfonylamino)benzoic acid Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H27N3O7S/c1-3-31-17-6-8-18(9-7-17)33(29,30)23-19-15-16(21(26)27)5-10-20(19)24-11-13-25(14-12-24)22(28)32-4-2/h5-10,15,23H,3-4,11-14H2,1-2H3,(H,26,27)