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

Systemtic Name: ethyl 2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[4-(1,1-dimethylpropyl)phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[4-(2-methylbutan-2-yl)phenyl]sulfonylamino]propanoate Traditional Name: 2-[(4-tert-amylphenyl)sulfonylamino]-3-(benzylthio)propionic acid ethyl ester Formula: C23H31NO4S2 MolecularWeight: 449.62654

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S2/c1-5-23(3,4)19-12-14-20(15-13-19)30(26,27)24-21(22(25)28-6-2)17-29-16-18-10-8-7-9-11-18/h7-15,21,24H,5-6,16-17H2,1-4H3