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

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(3-chloro-4-methyl-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C18H19ClN2O5S MolecularWeight: 410.87186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H19ClN2O5S/c1-12-3-5-14(10-15(12)19)21(27(2,23)24)11-18(22)20-13-4-6-16-17(9-13)26-8-7-25-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)