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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-[(5-chloro-2-methoxy-phenyl)sulfonylamino]benzoic acid Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O7S/c1-3-32-21(28)25-10-8-24(9-11-25)17-6-4-14(20(26)27)12-16(17)23-33(29,30)19-13-15(22)5-7-18(19)31-2/h4-7,12-13,23H,3,8-11H2,1-2H3,(H,26,27)