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

Systemtic Name: 3-[tert-butyl-(phenylmethyl)amino]propane-1-sulfonic acid Openeye Name: 3-[benzyl(tert-butyl)amino]propane-1-sulfonic acid CAS Name: 3-[tert-butyl-(phenylmethyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[benzyl(tert-butyl)amino]propane-1-sulfonic acid Traditional Name: 3-[benzyl(tert-butyl)amino]propane-1-sulfonic acid Formula: C14H23NO3S MolecularWeight: 285.40232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCS(=O)(=O)O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)N(CCCS(=O)(=O)O)CC1=CC=CC=C1

InChI

InChI=1S/C14H23NO3S/c1-14(2,3)15(10-7-11-19(16,17)18)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,16,17,18)