methyl 4-(2-bromophenyl)sulfonyl-2-(3-methoxy-2-sulfanyl-phenyl)-1-methyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-(2-bromophenyl)sulfonyl-2-(3-methoxy-2-sulfanyl-phenyl)-1-methyl-pyrrolidine-2-carboxylate Openeye Name: methyl 4-(2-bromophenyl)sulfonyl-2-(3-methoxy-2-sulfanyl-phenyl)-1-methyl-pyrrolidine-2-carboxylate CAS Name: 4-(2-bromophenyl)sulfonyl-2-(2-mercapto-3-methoxyphenyl)-1-methyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-bromophenyl)sulfonyl-2-(3-methoxy-2-sulfanylphenyl)-1-methylpyrrolidine-2-carboxylate Traditional Name: 4-(2-bromophenyl)sulfonyl-2-(2-mercapto-3-methoxy-phenyl)-1-methyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H22BrNO5S2 MolecularWeight: 500.42638

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1(C2=C(C(=CC=C2)OC)S)C(=O)OC)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1CC(CC1(C2=C(C(=CC=C2)OC)S)C(=O)OC)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H22BrNO5S2/c1-22-12-13(29(24,25)17-10-5-4-8-15(17)21)11-20(22,19(23)27-3)14-7-6-9-16(26-2)18(14)28/h4-10,13,28H,11-12H2,1-3H3