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

Systemtic Name: 3-(4-methylsulfonyloxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoic acid CAS Name: 3-(4-methylsulfonyloxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(4-methylsulfonyloxyphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-27(23,24)26-15-9-7-14(8-10-15)16(11-17(20)21)19-18(22)25-12-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)