ethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfonylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfonylmethyl)indole-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate Traditional Name: 2-(besylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO5S/c1-4-27-20(23)19-14-10-18(26-3)15(21)11-16(14)22(2)17(19)12-28(24,25)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3