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

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(2-methylphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(o-tolyl)piperazino]propane-1-sulfonic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C14H22N2O3S/c1-13-5-2-3-6-14(13)16-10-8-15(9-11-16)7-4-12-20(17,18)19/h2-3,5-6H,4,7-12H2,1H3,(H,17,18,19)