propan-2-yl 2-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate

Systemtic Name: propan-2-yl 2-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: isopropyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-2-[(phenylmethyl)amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate Traditional Name: 2-(benzylamino)-3-(4-besyloxyphenyl)propionic acid isopropyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5S/c1-19(2)30-25(27)24(26-18-21-9-5-3-6-10-21)17-20-13-15-22(16-14-20)31-32(28,29)23-11-7-4-8-12-23/h3-16,19,24,26H,17-18H2,1-2H3