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

Systemtic Name: 3-[methyl-(phenylmethyl)amino]propane-1-sulfonic acid Openeye Name: 3-[benzyl(methyl)amino]propane-1-sulfonic acid CAS Name: 3-[methyl-(phenylmethyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[benzyl(methyl)amino]propane-1-sulfonic acid Traditional Name: 3-[benzyl(methyl)amino]propane-1-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3S/c1-12(8-5-9-16(13,14)15)10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14,15)