1,3-bis(phenylmethoxycarbonylamino)propane-2-sulfonic acid

Systemtic Name: 1,3-bis(phenylmethoxycarbonylamino)propane-2-sulfonic acid Openeye Name: 1,3-bis(benzyloxycarbonylamino)propane-2-sulfonic acid CAS Name: 1,3-bis(phenylmethoxycarbonylamino)-2-propanesulfonic acid IUPAC Name: 1,3-bis(phenylmethoxycarbonylamino)propane-2-sulfonic acid Traditional Name: 1,3-bis(benzyloxycarbonylamino)propane-2-sulfonic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC(CNC(=O)OCC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC(CNC(=O)OCC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C19H22N2O7S/c22-18(27-13-15-7-3-1-4-8-15)20-11-17(29(24,25)26)12-21-19(23)28-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,22)(H,21,23)(H,24,25,26)