3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 3-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-pyrazin-2-ylpiperazino)sulfonylbenzoic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H16N4O4S/c20-15(21)12-2-1-3-13(10-12)24(22,23)19-8-6-18(7-9-19)14-11-16-4-5-17-14/h1-5,10-11H,6-9H2,(H,20,21)