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

Systemtic Name: (phenylmethyl) 2-[(phenylmethyl)amino]-2-[4-(phenylsulfonyloxy)phenyl]ethanoate Openeye Name: benzyl 2-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)acetate CAS Name: 2-[4-(benzenesulfonyloxy)phenyl]-2-[(phenylmethyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)acetate Traditional Name: 2-(benzylamino)-2-(4-besyloxyphenyl)acetic acid benzyl ester Formula: C28H25NO5S MolecularWeight: 487.5668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO5S/c30-28(33-21-23-12-6-2-7-13-23)27(29-20-22-10-4-1-5-11-22)24-16-18-25(19-17-24)34-35(31,32)26-14-8-3-9-15-26/h1-19,27,29H,20-21H2