2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-(cyanomethyl)-3-methylsulfonyl-benzimidazol-5-yl]butanamide

Systemtic Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-(cyanomethyl)-3-methylsulfonyl-benzimidazol-5-yl]butanamide Openeye Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[2-(cyanomethyl)-3-methylsulfonyl-benzimidazol-5-yl]butanamide CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-(cyanomethyl)-3-methylsulfonyl-5-benzimidazolyl]butanamide IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-(cyanomethyl)-3-methylsulfonylbenzimidazol-5-yl]butanamide Traditional Name: N-[2-(cyanomethyl)-3-mesyl-benzimidazol-5-yl]-2-(2,4-ditert-amylphenoxy)butyramide Formula: C30H40N4O4S MolecularWeight: 552.728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)N=C(N2S(=O)(=O)C)CC#N)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)N=C(N2S(=O)(=O)C)CC#N)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C30H40N4O4S/c1-9-25(38-26-15-12-20(29(4,5)10-2)18-22(26)30(6,7)11-3)28(35)32-21-13-14-23-24(19-21)34(39(8,36)37)27(33-23)16-17-31/h12-15,18-19,25H,9-11,16H2,1-8H3,(H,32,35)