2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanoic acid

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanoic acid Openeye Name: 2-[4-(m-tolyl)piperazin-1-yl]sulfonylacetic acid CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]acetic acid IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetic acid Traditional Name: 2-[4-(m-tolyl)piperazino]sulfonylacetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-11-3-2-4-12(9-11)14-5-7-15(8-6-14)20(18,19)10-13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)