2-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-phenyl]acetic acid CAS Name: 2-[2-methyl-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]acetic acid IUPAC Name: 2-[2-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[2-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-phenyl]acetic acid Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)CC(=O)O

InChI

InChI=1S/C17H20N4O4S/c1-13-3-4-15(11-14(13)12-16(22)23)26(24,25)21-9-7-20(8-10-21)17-18-5-2-6-19-17/h2-6,11H,7-10,12H2,1H3,(H,22,23)