1-[(2,3-dimethylphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 1-[(2,3-dimethylphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 1-[(2,3-dimethylphenyl)methylamino]propane-1-sulfonic acid CAS Name: 1-[(2,3-dimethylphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 1-[(2,3-dimethylphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 1-[(2,3-dimethylbenzyl)amino]propane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCC1=CC=CC(=C1C)C)S(=O)(=O)O

Isomeric SMILES

CCC(NCC1=CC=CC(=C1C)C)S(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-4-12(17(14,15)16)13-8-11-7-5-6-9(2)10(11)3/h5-7,12-13H,4,8H2,1-3H3,(H,14,15,16)