5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)sulfonylamino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(5-chloro-2-thienyl)sulfonylamino]benzoic acid Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C18H20ClN3O6S2/c1-2-28-18(25)22-9-7-21(8-10-22)14-4-3-12(11-13(14)17(23)24)20-30(26,27)16-6-5-15(19)29-16/h3-6,11,20H,2,7-10H2,1H3,(H,23,24)