N-(4-bromanyl-3-methyl-phenyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCOCC4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCOCC4)Br

InChI

InChI=1S/C20H21BrN2O6S/c1-13-10-14(2-4-16(13)21)22-30(25,26)15-3-5-17-18(11-15)28-12-19(29-17)20(24)23-6-8-27-9-7-23/h2-5,10-11,19,22H,6-9,12H2,1H3