2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[1,3-benzodioxol-5-yl(mesyl)amino]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C18H19ClN2O7S MolecularWeight: 442.87066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CN(C2=CC3=C(C=C2)OCO3)S(=O)(=O)C)OC)Cl

InChI

InChI=1S/C18H19ClN2O7S/c1-25-15-8-13(16(26-2)7-12(15)19)20-18(22)9-21(29(3,23)24)11-4-5-14-17(6-11)28-10-27-14/h4-8H,9-10H2,1-3H3,(H,20,22)