methyl 4-iodanyl-1-(phenylsulfonyl)indole-3-carboxylate

Systemtic Name: methyl 4-iodanyl-1-(phenylsulfonyl)indole-3-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-4-iodo-indole-3-carboxylate CAS Name: 1-(benzenesulfonyl)-4-iodo-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-4-iodoindole-3-carboxylate Traditional Name: 1-besyl-4-iodo-indole-3-carboxylic acid methyl ester Formula: C16H12INO4S MolecularWeight: 441.24025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=CC=C2)I)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=CC=C2)I)S(=O)(=O)C3=CC=CC=C3

InChI

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