N-[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[(4-bromophenyl)sulfamoyl]-4-methyl-phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H19BrN2O6S2 MolecularWeight: 539.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O6S2/c1-14-2-5-17(12-21(14)32(27,28)23-16-6-3-15(22)4-7-16)24-31(25,26)18-8-9-19-20(13-18)30-11-10-29-19/h2-9,12-13,23-24H,10-11H2,1H3