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

Systemtic Name: 3-[[(phenylmethyl)amino]methyl]-4-[4-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-(benzylamino)butanoic acid CAS Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-(benzylamino)butanoic acid Traditional Name: 3-[(benzylamino)methyl]-4-(4-besyloxyphenyl)butyric acid Formula: C24H25NO5S MolecularWeight: 439.524

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5S/c26-24(27)16-21(18-25-17-20-7-3-1-4-8-20)15-19-11-13-22(14-12-19)30-31(28,29)23-9-5-2-6-10-23/h1-14,21,25H,15-18H2,(H,26,27)