methyl 1-(4-bromophenyl)sulfonyl-3-iodanyl-indole-2-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)sulfonyl-3-iodanyl-indole-2-carboxylate Openeye Name: methyl 1-(4-bromophenyl)sulfonyl-3-iodo-indole-2-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-3-iodo-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)sulfonyl-3-iodoindole-2-carboxylate Traditional Name: 1-brosyl-3-iodo-indole-2-carboxylic acid methyl ester Formula: C16H11BrINO4S MolecularWeight: 520.13631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrINO4S/c1-23-16(20)15-14(18)12-4-2-3-5-13(12)19(15)24(21,22)11-8-6-10(17)7-9-11/h2-9H,1H3