5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(3-chloro-2-methyl-phenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(3-chloro-2-methyl-phenyl)sulfonylamino]benzoic acid Formula: C21H24ClN3O6S MolecularWeight: 481.94976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6S/c1-3-31-21(28)25-11-9-24(10-12-25)18-8-7-15(13-16(18)20(26)27)23-32(29,30)19-6-4-5-17(22)14(19)2/h4-8,13,23H,3,9-12H2,1-2H3,(H,26,27)