5-bromanyl-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid

Systemtic Name: 5-bromanyl-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid Openeye Name: 5-bromo-7-(p-tolylsulfonyloxy)-1H-indole-2-carboxylic acid CAS Name: 5-bromo-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid IUPAC Name: 5-bromo-7-(4-methylphenyl)sulfonyloxy-1H-indole-2-carboxylic acid Traditional Name: 5-bromo-7-tosyloxy-1H-indole-2-carboxylic acid Formula: C16H12BrNO5S MolecularWeight: 410.23918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C=C(N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)Br)C=C(N3)C(=O)O

InChI

InChI=1S/C16H12BrNO5S/c1-9-2-4-12(5-3-9)24(21,22)23-14-8-11(17)6-10-7-13(16(19)20)18-15(10)14/h2-8,18H,1H3,(H,19,20)