[4-(4-cyanophenyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C26H24N2O6S/c1-17(2)25(28-35(30,31)22-11-12-23-24(15-22)33-14-13-32-23)26(29)34-21-9-7-20(8-10-21)19-5-3-18(16-27)4-6-19/h3-12,15,17,25,28H,13-14H2,1-2H3