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

Systemtic Name: ethyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: ethyl 2-(benzylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(3-tosyloxyphenyl)propionic acid ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-3-30-25(27)24(26-18-20-8-5-4-6-9-20)17-21-10-7-11-22(16-21)31-32(28,29)23-14-12-19(2)13-15-23/h4-16,24,26H,3,17-18H2,1-2H3