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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]propane-1-sulfonic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3S/c1-13-5-3-6-15(14(13)2)17-10-8-16(9-11-17)7-4-12-21(18,19)20/h3,5-6H,4,7-12H2,1-2H3,(H,18,19,20)