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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

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