6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-[(4-bromo-3-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate IUPAC Name: 6-[(4-bromo-3-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-carboxylate Formula: C16H13BrNO6S- MolecularWeight: 427.24652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCO3)Br

InChI

InChI=1S/C16H14BrNO6S/c1-9-6-10(2-3-12(9)17)25(21,22)18-13-8-15-14(23-4-5-24-15)7-11(13)16(19)20/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/p-1