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

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-(m-tolylsulfonylamino)benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(3-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(m-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(=C3)C

Isomeric SMILES

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

InChI

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