methyl 3-iodanyl-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: methyl 3-iodanyl-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-3-iodo-indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-3-iodo-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-3-iodoindole-2-carboxylate Traditional Name: 1-besyl-3-iodo-indole-2-carboxylic acid methyl ester Formula: C16H12INO4S MolecularWeight: 441.24025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)I

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)I

InChI

InChI=1S/C16H12INO4S/c1-22-16(19)15-14(17)12-9-5-6-10-13(12)18(15)23(20,21)11-7-3-2-4-8-11/h2-10H,1H3