3-(2-phenylpropan-2-ylamino)propane-1-sulfonic acid

Systemtic Name: 3-(2-phenylpropan-2-ylamino)propane-1-sulfonic acid Openeye Name: 3-[(1-methyl-1-phenyl-ethyl)amino]propane-1-sulfonic acid CAS Name: 3-(2-phenylpropan-2-ylamino)-1-propanesulfonic acid IUPAC Name: 3-(2-phenylpropan-2-ylamino)propane-1-sulfonic acid Traditional Name: 3-(cumylamino)propane-1-sulfonic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)NCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)NCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO3S/c1-12(2,11-7-4-3-5-8-11)13-9-6-10-17(14,15)16/h3-5,7-8,13H,6,9-10H2,1-2H3,(H,14,15,16)