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

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-[(3-chloro-4-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=CC(=C(C=C3)OC)Cl

Isomeric SMILES

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

InChI

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