4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-[4-(2-pyridyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-methoxy-3-[4-(2-pyridyl)piperazino]sulfonyl-benzoic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C17H19N3O5S/c1-25-14-6-5-13(17(21)22)12-15(14)26(23,24)20-10-8-19(9-11-20)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3,(H,21,22)