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

Systemtic Name: 3-[phenyl-(phenylmethyl)amino]propane-1-sulfonic acid Openeye Name: 3-(N-benzylanilino)propane-1-sulfonic acid CAS Name: 3-(N-(phenylmethyl)anilino)-1-propanesulfonic acid IUPAC Name: 3-(N-benzylanilino)propane-1-sulfonic acid Traditional Name: 3-(N-benzylanilino)propane-1-sulfonic acid Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCS(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3S/c18-21(19,20)13-7-12-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19,20)