ethyl 1-(2-bromoethyl)-2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate

Systemtic Name: ethyl 1-(2-bromoethyl)-2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-indole-3-carboxylate Openeye Name: ethyl 1-(2-bromoethyl)-2-(bromomethyl)-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 1-(2-bromoethyl)-2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-bromoethyl)-2-(bromomethyl)-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate Traditional Name: 1-(2-bromoethyl)-2-(bromomethyl)-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C21H21Br2NO5S MolecularWeight: 559.26814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)CCBr)CBr

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)CCBr)CBr

InChI

InChI=1S/C21H21Br2NO5S/c1-3-28-21(25)20-17-12-15(6-9-18(17)24(11-10-22)19(20)13-23)29-30(26,27)16-7-4-14(2)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3