2-[(4-dimethylsulfoniophenyl)-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: 2-[(4-dimethylsulfoniophenyl)-phenylmethoxycarbonyl-amino]propanoate Openeye Name: 2-(N-benzyloxycarbonyl-4-dimethylsulfonio-anilino)propanoate CAS Name: 2-(4-dimethylsulfonio-N-phenylmethoxycarbonylanilino)propanoate IUPAC Name: 2-(4-dimethylsulfonio-N-phenylmethoxycarbonylanilino)propanoate Traditional Name: 2-(N-carbobenzoxy-4-dimethylsulfonio-anilino)propionate Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N(C1=CC=C(C=C1)[S+](C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)[O-])N(C1=CC=C(C=C1)[S+](C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-14(18(21)22)20(16-9-11-17(12-10-16)25(2)3)19(23)24-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3