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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(3-chlorophenyl)piperazino]propane-1-sulfonic acid Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H19ClN2O3S/c14-12-3-1-4-13(11-12)16-8-6-15(7-9-16)5-2-10-20(17,18)19/h1,3-4,11H,2,5-10H2,(H,17,18,19)