3-[4-(4-methylphenyl)sulfonyloxyphenyl]-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 4-(benzylamino)-3-(4-tosyloxyphenyl)butyric acid Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(CC(=O)O)CNCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(CC(=O)O)CNCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-18-7-13-23(14-8-18)31(28,29)30-22-11-9-20(10-12-22)21(15-24(26)27)17-25-16-19-5-3-2-4-6-19/h2-14,21,25H,15-17H2,1H3,(H,26,27)