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

Systemtic Name: 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 4-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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