3-(3-methylsulfonyloxyphenyl)-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-(3-methylsulfonyloxyphenyl)-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-3-(3-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-(3-methylsulfonyloxyphenyl)-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-(3-methylsulfonyloxyphenyl)-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-3-(3-methylsulfonyloxyphenyl)butyric acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=CC(=C1)C(CC(=O)O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=CC=CC(=C1)C(CC(=O)O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO7S/c1-28(24,25)27-17-9-5-8-15(10-17)16(11-18(21)22)12-20-19(23)26-13-14-6-3-2-4-7-14/h2-10,16H,11-13H2,1H3,(H,20,23)(H,21,22)