tert-butyl 2-[(phenylmethyl)amino]-2-[4-(phenylsulfonyloxy)phenyl]ethanoate

Systemtic Name: tert-butyl 2-[(phenylmethyl)amino]-2-[4-(phenylsulfonyloxy)phenyl]ethanoate Openeye Name: tert-butyl 2-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)acetate CAS Name: 2-[4-(benzenesulfonyloxy)phenyl]-2-[(phenylmethyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)acetate Traditional Name: 2-(benzylamino)-2-(4-besyloxyphenyl)acetic acid tert-butyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

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