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

Systemtic Name: propan-2-yl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: isopropyl 2-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-tosyloxyphenyl)propionic acid isopropyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

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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(C)C)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5S/c1-19(2)31-26(28)25(27-18-22-7-5-4-6-8-22)17-21-11-13-23(14-12-21)32-33(29,30)24-15-9-20(3)10-16-24/h4-16,19,25,27H,17-18H2,1-3H3