4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide

Systemtic Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide Openeye Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide CAS Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide IUPAC Name: 4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]butanamide Traditional Name: 4-[1,3-benzodioxol-5-yl(mesyl)amino]-N-veratryl-butyramide Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC

InChI

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