3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-(p-tolylmethylamino)propane-1-sulfonic acid CAS Name: 3-[(4-methylphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(4-methylphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(4-methylbenzyl)amino]propane-1-sulfonic acid Formula: C11H17NO3S MolecularWeight: 243.32258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCCCS(=O)(=O)O

InChI

InChI=1S/C11H17NO3S/c1-10-3-5-11(6-4-10)9-12-7-2-8-16(13,14)15/h3-6,12H,2,7-9H2,1H3,(H,13,14,15)