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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c25-23(26)16-20(24-17-19-7-3-1-4-8-19)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)