3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoic acid CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-mesylpiperazino)methyl]benzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)O

InChI

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