methyl (1R,4R,8R)-5-(2-chloranylethanoyl)-8-[1-(phenylsulfonyl)indol-2-yl]-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: methyl (1R,4R,8R)-5-(2-chloranylethanoyl)-8-[1-(phenylsulfonyl)indol-2-yl]-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: methyl (1R,4R,8R)-8-[1-(benzenesulfonyl)indol-2-yl]-5-(2-chloroacetyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: (1R,4R,8R)-8-[1-(benzenesulfonyl)-2-indolyl]-5-(2-chloro-1-oxoethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1R,4R,8R)-8-[1-(benzenesulfonyl)indol-2-yl]-5-(2-chloroacetyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: (1R,4R,8R)-8-(1-besylindol-2-yl)-5-(2-chloroacetyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CN(C1C=C2)C(=O)CCl)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@@]1(C[C@H]2CN([C@@H]1C=C2)C(=O)CCl)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23ClN2O5S/c1-33-24(30)25(14-17-11-12-21(25)27(16-17)23(29)15-26)22-13-18-7-5-6-10-20(18)28(22)34(31,32)19-8-3-2-4-9-19/h2-13,17,21H,14-16H2,1H3/t17-,21+,25+/m0/s1