3-[(phenylmethyl)amino]propane-1-sulfinic acid

Systemtic Name: 3-[(phenylmethyl)amino]propane-1-sulfinic acid Openeye Name: 3-(benzylamino)propane-1-sulfinic acid CAS Name: 3-[(phenylmethyl)amino]-1-propanesulfinic acid IUPAC Name: 3-(benzylamino)propane-1-sulfinic acid Traditional Name: 3-(benzylamino)propane-1-sulfinic acid Formula: C10H15NO2S MolecularWeight: 213.2966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO2S/c12-14(13)8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,12,13)