ethyl 5-acetyloxy-6-bromanyl-2-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-chlorophenyl)sulfonylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(4-chlorophenyl)sulfonylmethyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H19BrClNO6S MolecularWeight: 528.80066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrClNO6S/c1-4-29-21(26)20-15-9-19(30-12(2)25)16(22)10-17(15)24(3)18(20)11-31(27,28)14-7-5-13(23)6-8-14/h5-10H,4,11H2,1-3H3