S-tert-butyl (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanethioate

Systemtic Name: S-tert-butyl (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanethioate Openeye Name: S-tert-butyl (2S,3R)-2-methyl-3-phenyl-3-(p-tolylsulfonylamino)propanethioate CAS Name: (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (2S,3R)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanethioate Traditional Name: (2S,3R)-2-methyl-3-phenyl-3-(tosylamino)propanethioic acid S-tert-butyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C)C(=O)SC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](C)C(=O)SC(C)(C)C

InChI

InChI=1S/C21H27NO3S2/c1-15-11-13-18(14-12-15)27(24,25)22-19(17-9-7-6-8-10-17)16(2)20(23)26-21(3,4)5/h6-14,16,19,22H,1-5H3/t16-,19+/m0/s1