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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[4-(hydroxymethyl)-2-propyl-phenyl]-N-(4-propan-2-ylphenyl)sulfonyl-propanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-[4-(hydroxymethyl)-2-propyl-phenyl]-N-(4-isopropylphenyl)sulfonyl-propanamide CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[4-(hydroxymethyl)-2-propylphenyl]-N-(4-propan-2-ylphenyl)sulfonylpropanamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[4-(hydroxymethyl)-2-propylphenyl]-N-(4-propan-2-ylphenyl)sulfonylpropanamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(4-methylol-2-propyl-phenyl)-N-p-cumenylsulfonyl-propionamide Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H33NO6S/c1-4-5-22-14-20(17-31)6-7-23(22)15-26(24-10-13-27-28(16-24)36-18-35-27)29(32)30-37(33,34)25-11-8-21(9-12-25)19(2)3/h6-14,16,19,26,31H,4-5,15,17-18H2,1-3H3,(H,30,32)