methyl 3-(2-bromanylethanoyl)-1-(4-methylphenyl)sulfonyl-indole-4-carboxylate

Systemtic Name: methyl 3-(2-bromanylethanoyl)-1-(4-methylphenyl)sulfonyl-indole-4-carboxylate Openeye Name: methyl 3-(2-bromoacetyl)-1-(p-tolylsulfonyl)indole-4-carboxylate CAS Name: 3-(2-bromo-1-oxoethyl)-1-(4-methylphenyl)sulfonyl-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-bromoacetyl)-1-(4-methylphenyl)sulfonylindole-4-carboxylate Traditional Name: 3-(2-bromoacetyl)-1-tosyl-indole-4-carboxylic acid methyl ester Formula: C19H16BrNO5S MolecularWeight: 450.30304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(=O)OC)C(=O)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=CC=C32)C(=O)OC)C(=O)CBr

InChI

InChI=1S/C19H16BrNO5S/c1-12-6-8-13(9-7-12)27(24,25)21-11-15(17(22)10-20)18-14(19(23)26-2)4-3-5-16(18)21/h3-9,11H,10H2,1-2H3