tert-butyl (2R,3R)-2-(4-methylphenyl)sulfinyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2R,3R)-2-(4-methylphenyl)sulfinyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2R,3R)-3-phenyl-2-(p-tolylsulfinyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3R)-2-(4-methylphenyl)sulfinyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-(4-methylphenyl)sulfinyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R,3R)-3-phenyl-2-(p-tolylsulfinyl)-3-(tosylamino)propionic acid tert-butyl ester Formula: C27H31NO5S2 MolecularWeight: 513.66874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H]([C@@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31NO5S2/c1-19-11-15-22(16-12-19)34(30)25(26(29)33-27(3,4)5)24(21-9-7-6-8-10-21)28-35(31,32)23-17-13-20(2)14-18-23/h6-18,24-25,28H,1-5H3/t24-,25-,34?/m1/s1