2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-(4-tosylpiperazino)acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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