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

Systemtic Name: ethyl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: ethyl 2-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-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=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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