propan-2-yl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: propan-2-yl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: isopropyl 2-(benzyloxycarbonylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-tosyloxyphenyl)propionic acid isopropyl ester Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO7S/c1-19(2)34-26(29)25(28-27(30)33-18-22-7-5-4-6-8-22)17-21-11-13-23(14-12-21)35-36(31,32)24-15-9-20(3)10-16-24/h4-16,19,25H,17-18H2,1-3H3,(H,28,30)