2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propyl-phenoxy]-N-(4-propan-2-ylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propyl-phenoxy]-N-(4-propan-2-ylphenyl)sulfonyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propyl-phenoxy]-N-(4-isopropylphenyl)sulfonyl-acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(cyanomethyl)-2-propyl-phenoxy]-N-p-cumenylsulfonyl-acetamide Formula: C29H30N2O6S MolecularWeight: 534.6233

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC#N)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC#N)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H30N2O6S/c1-4-5-22-16-20(14-15-30)6-12-25(22)37-28(23-9-13-26-27(17-23)36-18-35-26)29(32)31-38(33,34)24-10-7-21(8-11-24)19(2)3/h6-13,16-17,19,28H,4-5,14,18H2,1-3H3,(H,31,32)