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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2-propyl-phenoxy]-N-(4-propan-2-ylphenyl)sulfonyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2-propyl-phenoxy]-N-(4-isopropylphenyl)sulfonyl-acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[4-(hydroxymethyl)-2-propylphenoxy]-N-(4-propan-2-ylphenyl)sulfonylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(4-methylol-2-propyl-phenoxy)-N-p-cumenylsulfonyl-acetamide Formula: C28H31NO7S MolecularWeight: 525.61324

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31NO7S/c1-4-5-21-14-19(16-30)6-12-24(21)36-27(22-9-13-25-26(15-22)35-17-34-25)28(31)29-37(32,33)23-10-7-20(8-11-23)18(2)3/h6-15,18,27,30H,4-5,16-17H2,1-3H3,(H,29,31)