2-(4-ethoxycarbonylpiperazin-1-yl)-5-(ethylsulfonylamino)benzoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(ethylsulfonylamino)benzoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(ethylsulfonylamino)benzoic acid CAS Name: 2-(4-ethoxycarbonyl-1-piperazinyl)-5-(ethylsulfonylamino)benzoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-5-(ethylsulfonylamino)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-(esylamino)benzoic acid Formula: C16H23N3O6S MolecularWeight: 385.43532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6S/c1-3-25-16(22)19-9-7-18(8-10-19)14-6-5-12(11-13(14)15(20)21)17-26(23,24)4-2/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,20,21)