methyl (2R)-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-3-benzylsulfanyl-2-[[4-(1,1-dimethylpropyl)phenyl]sulfonylamino]propanoate CAS Name: (2R)-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-3-benzylsulfanyl-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanoate Traditional Name: (2R)-2-[(4-tert-amylphenyl)sulfonylamino]-3-(benzylthio)propionic acid methyl ester Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H29NO4S2/c1-5-22(2,3)18-11-13-19(14-12-18)29(25,26)23-20(21(24)27-4)16-28-15-17-9-7-6-8-10-17/h6-14,20,23H,5,15-16H2,1-4H3/t20-/m0/s1