2-[[(phenylmethyl)amino]methyl]-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[(phenylmethyl)amino]methyl]-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[[4-(benzenesulfonyloxy)phenyl]methyl]-3-(benzylamino)propanoic acid CAS Name: 2-[[4-(benzenesulfonyloxy)phenyl]methyl]-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[[4-(benzenesulfonyloxy)phenyl]methyl]-3-(benzylamino)propanoic acid Traditional Name: 2-[(benzylamino)methyl]-3-(4-besyloxyphenyl)propionic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23NO5S/c25-23(26)20(17-24-16-19-7-3-1-4-8-19)15-18-11-13-21(14-12-18)29-30(27,28)22-9-5-2-6-10-22/h1-14,20,24H,15-17H2,(H,25,26)