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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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