3-[3-(methylsulfonylamino)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-(methylsulfonylamino)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[3-(methanesulfonamido)phenyl]propanoic acid CAS Name: 3-[3-(methanesulfonamido)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-(methanesulfonamido)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[3-(methanesulfonamido)phenyl]propionic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O6S/c1-27(24,25)20-15-9-5-8-14(10-15)11-16(17(21)22)19-18(23)26-12-13-6-3-2-4-7-13/h2-10,16,20H,11-12H2,1H3,(H,19,23)(H,21,22)