3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-homoveratryl-propionamide Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C21H25NO7S/c1-26-17-5-3-15(13-19(17)27-2)7-9-22-21(23)8-12-30(24,25)16-4-6-18-20(14-16)29-11-10-28-18/h3-6,13-14H,7-12H2,1-2H3,(H,22,23)