4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(o-tolylsulfonylamino)benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(o-tolylsulfonylamino)benzoic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O6S/c1-3-30-21(27)24-12-10-23(11-13-24)18-9-8-16(20(25)26)14-17(18)22-31(28,29)19-7-5-4-6-15(19)2/h4-9,14,22H,3,10-13H2,1-2H3,(H,25,26)