(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-(cyclopropylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(cyclopropylsulfamoyl)-2-methylbenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(cyclopropylsulfamoyl)-2-methyl-benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H20BrNO6S/c1-12-2-5-15(29(24,25)22-14-3-4-14)9-16(12)20(23)28-11-13-8-18-19(10-17(13)21)27-7-6-26-18/h2,5,8-10,14,22H,3-4,6-7,11H2,1H3