methyl 3-[4-(bromomethyl)phenyl]sulfonyl-1-(phenylsulfonyl)indole-4-carboxylate

Systemtic Name: methyl 3-[4-(bromomethyl)phenyl]sulfonyl-1-(phenylsulfonyl)indole-4-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-3-[4-(bromomethyl)phenyl]sulfonyl-indole-4-carboxylate CAS Name: 1-(benzenesulfonyl)-3-[4-(bromomethyl)phenyl]sulfonyl-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-3-[4-(bromomethyl)phenyl]sulfonylindole-4-carboxylate Traditional Name: 1-besyl-3-[4-(bromomethyl)phenyl]sulfonyl-indole-4-carboxylic acid methyl ester Formula: C23H18BrNO6S2 MolecularWeight: 548.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)C3=CC=C(C=C3)CBr)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2S(=O)(=O)C3=CC=C(C=C3)CBr)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrNO6S2/c1-31-23(26)19-8-5-9-20-22(19)21(32(27,28)17-12-10-16(14-24)11-13-17)15-25(20)33(29,30)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3