3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[methyl-(phenylmethyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[benzyl(methyl)amino]-2-hydroxy-propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[methyl-(phenylmethyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[benzyl(methyl)amino]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[benzyl(methyl)amino]-2-hydroxy-propane-1-sulfonic acid Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC(CS(=O)(=O)O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C11H17NO4S/c1-12(7-10-5-3-2-4-6-10)8-11(13)9-17(14,15)16/h2-6,11,13H,7-9H2,1H3,(H,14,15,16)