2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-diethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-diethoxyphenyl)methyl]ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-diethoxyphenyl)methyl]acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-diethoxyphenyl)methyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-diethoxyphenyl)methyl]acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(3,4-diethoxybenzyl)acetamide Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H26N2O7S/c1-4-27-17-8-6-15(10-19(17)28-5-2)12-22-21(24)13-23(31(3,25)26)16-7-9-18-20(11-16)30-14-29-18/h6-11H,4-5,12-14H2,1-3H3,(H,22,24)