tert-butyl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]ethanoate Openeye Name: tert-butyl 2-(benzylamino)-2-[4-(p-tolylsulfonyloxy)phenyl]acetate CAS Name: 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzylamino)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]acetate Traditional Name: 2-(benzylamino)-2-(4-tosyloxyphenyl)acetic acid tert-butyl 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)C(C(=O)OC(C)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5S/c1-19-10-16-23(17-11-19)33(29,30)32-22-14-12-21(13-15-22)24(25(28)31-26(2,3)4)27-18-20-8-6-5-7-9-20/h5-17,24,27H,18H2,1-4H3