2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H19ClN2O6S/c1-25-15-6-4-13(10-14(15)19)21(28(2,23)24)11-18(22)20-12-3-5-16-17(9-12)27-8-7-26-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)