2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-4,5-dimethoxy-benzoic acid Formula: C16H16BrNO6S MolecularWeight: 430.27034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)Br

InChI

InChI=1S/C16H16BrNO6S/c1-9-6-10(4-5-12(9)17)25(21,22)18-13-8-15(24-3)14(23-2)7-11(13)16(19)20/h4-8,18H,1-3H3,(H,19,20)