2-[(phenylmethyl)sulfonylamino]-3-[4-(phenylmethyl)sulfonyloxyphenyl]propanoic acid

Systemtic Name: 2-[(phenylmethyl)sulfonylamino]-3-[4-(phenylmethyl)sulfonyloxyphenyl]propanoic acid Openeye Name: 2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propanoic acid CAS Name: 2-[(phenylmethyl)sulfonylamino]-3-[4-(phenylmethyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propanoic acid Traditional Name: 2-(benzylsulfonylamino)-3-(4-benzylsulfonyloxyphenyl)propionic acid Formula: C23H23NO7S2 MolecularWeight: 489.56122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO7S2/c25-23(26)22(24-32(27,28)16-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)31-33(29,30)17-20-9-5-2-6-10-20/h1-14,22,24H,15-17H2,(H,25,26)