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

Systemtic Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-3-[(phenylmethyl)amino]propanoic acid Openeye Name: 3-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 3-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 3-(benzylamino)-3-(4-tosyloxyphenyl)propionic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(CC(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)29-20-11-9-19(10-12-20)22(15-23(25)26)24-16-18-5-3-2-4-6-18/h2-14,22,24H,15-16H2,1H3,(H,25,26)