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

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5S/c1-12-9-14(4-5-15(12)19)21(27(2,23)24)11-18(22)20-13-3-6-16-17(10-13)26-8-7-25-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)