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

Systemtic Name: 5-[(5-chloranylthiophen-2-yl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 5-[(5-chloro-2-thiophenyl)sulfonylamino]-2-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(5-chloro-2-thienyl)sulfonylamino]-2-[4-(2-pyridyl)piperazino]benzoic acid Formula: C20H19ClN4O4S2 MolecularWeight: 478.97226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Cl)C(=O)O)C4=CC=CC=N4

InChI

InChI=1S/C20H19ClN4O4S2/c21-17-6-7-19(30-17)31(28,29)23-14-4-5-16(15(13-14)20(26)27)24-9-11-25(12-10-24)18-3-1-2-8-22-18/h1-8,13,23H,9-12H2,(H,26,27)