2-[5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(5-cyano-2-pyridyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(5-cyano-2-pyridyl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N)CC(=O)O

InChI

InChI=1S/C19H20N4O4S/c1-14-2-4-17(10-16(14)11-19(24)25)28(26,27)23-8-6-22(7-9-23)18-5-3-15(12-20)13-21-18/h2-5,10,13H,6-9,11H2,1H3,(H,24,25)