4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-4-oxidanylidene-butanamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-4-oxo-butanamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-4-oxobutanamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylsulfonyl-4-oxobutanamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-N-mesyl-N-o-veratryl-butyramide Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

InChI

InChI=1S/C22H25NO8S/c1-28-19-6-4-5-16(22(19)29-2)14-23(32(3,26)27)21(25)10-8-17(24)15-7-9-18-20(13-15)31-12-11-30-18/h4-7,9,13H,8,10-12,14H2,1-3H3