2-(2-cyanoethanoyl)-N-[4-(2-methylbutan-2-yl)phenyl]-N-(3-phenylpropyl)-1-benzofuran-5-sulfonamide

Systemtic Name: 2-(2-cyanoethanoyl)-N-[4-(2-methylbutan-2-yl)phenyl]-N-(3-phenylpropyl)-1-benzofuran-5-sulfonamide Openeye Name: 2-(2-cyanoacetyl)-N-[4-(1,1-dimethylpropyl)phenyl]-N-(3-phenylpropyl)benzofuran-5-sulfonamide CAS Name: 2-(2-cyano-1-oxoethyl)-N-[4-(2-methylbutan-2-yl)phenyl]-N-(3-phenylpropyl)-5-benzofuransulfonamide IUPAC Name: 2-(2-cyanoacetyl)-N-[4-(2-methylbutan-2-yl)phenyl]-N-(3-phenylpropyl)-1-benzofuran-5-sulfonamide Traditional Name: N-(4-tert-amylphenyl)-2-(2-cyanoacetyl)-N-(3-phenylpropyl)benzofuran-5-sulfonamide Formula: C31H32N2O4S MolecularWeight: 528.66178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4)C(=O)CC#N

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)N(CCCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC(=C4)C(=O)CC#N

InChI

InChI=1S/C31H32N2O4S/c1-4-31(2,3)25-12-14-26(15-13-25)33(20-8-11-23-9-6-5-7-10-23)38(35,36)27-16-17-29-24(21-27)22-30(37-29)28(34)18-19-32/h5-7,9-10,12-17,21-22H,4,8,11,18,20H2,1-3H3