4-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid Openeye Name: 4-[4-(2-pyridyl)piperazin-1-yl]-3-(2-thienylsulfonylamino)benzoic acid CAS Name: 4-[4-(2-pyridinyl)-1-piperazinyl]-3-(thiophen-2-ylsulfonylamino)benzoic acid IUPAC Name: 4-(4-pyridin-2-ylpiperazin-1-yl)-3-(thiophen-2-ylsulfonylamino)benzoic acid Traditional Name: 4-[4-(2-pyridyl)piperazino]-3-(2-thienylsulfonylamino)benzoic acid Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=N4

InChI

InChI=1S/C20H20N4O4S2/c25-20(26)15-6-7-17(16(14-15)22-30(27,28)19-5-3-13-29-19)23-9-11-24(12-10-23)18-4-1-2-8-21-18/h1-8,13-14,22H,9-12H2,(H,25,26)