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

Systemtic Name: 3-[4-(2-chloroethyl)piperazin-1-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[4-(2-chloroethyl)piperazin-1-yl]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[4-(2-chloroethyl)-1-piperazinyl]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[4-(2-chloroethyl)piperazin-1-yl]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[4-(2-chloroethyl)piperazino]-2-hydroxy-propane-1-sulfonic acid Formula: C9H19ClN2O4S MolecularWeight: 286.77616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCl)CC(CS(=O)(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCl)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C9H19ClN2O4S/c10-1-2-11-3-5-12(6-4-11)7-9(13)8-17(14,15)16/h9,13H,1-8H2,(H,14,15,16)