2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[(phenylmethyl)amino]propanoic acid Openeye Name: 2-[(benzylamino)methyl]-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[(benzylamino)methyl]-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 2-[(benzylamino)methyl]-3-(4-tosyloxyphenyl)propionic 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)CC(CNCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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