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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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