2-[(4-pyridin-2-ylpiperazin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 2-[(4-pyridin-2-ylpiperazin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 2-[[4-(2-pyridyl)piperazin-1-yl]sulfonylmethyl]benzoic acid CAS Name: 2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonylmethyl]benzoic acid IUPAC Name: 2-[(4-pyridin-2-ylpiperazin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 2-[[4-(2-pyridyl)piperazino]sulfonylmethyl]benzoic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H19N3O4S/c21-17(22)15-6-2-1-5-14(15)13-25(23,24)20-11-9-19(10-12-20)16-7-3-4-8-18-16/h1-8H,9-13H2,(H,21,22)