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

Systemtic Name: methyl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-tosyloxyphenyl)propionic acid methyl ester 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(C(=O)OC)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5S/c1-18-8-14-22(15-9-18)31(27,28)30-21-12-10-19(11-13-21)16-23(24(26)29-2)25-17-20-6-4-3-5-7-20/h3-15,23,25H,16-17H2,1-2H3