tert-butyl 5-(1-chloranylindol-3-yl)-6-iodanyl-4-(methylsulfonyloxymethyl)quinoline-2-carboxylate

Systemtic Name: tert-butyl 5-(1-chloranylindol-3-yl)-6-iodanyl-4-(methylsulfonyloxymethyl)quinoline-2-carboxylate Openeye Name: tert-butyl 5-(1-chloroindol-3-yl)-6-iodo-4-(methylsulfonyloxymethyl)quinoline-2-carboxylate CAS Name: 5-(1-chloro-3-indolyl)-6-iodo-4-(methylsulfonyloxymethyl)-2-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-chloroindol-3-yl)-6-iodo-4-(methylsulfonyloxymethyl)quinoline-2-carboxylate Traditional Name: 5-(1-chloroindol-3-yl)-6-iodo-4-(methylsulfonyloxymethyl)quinaldic acid tert-butyl ester Formula: C24H22ClIN2O5S MolecularWeight: 612.86435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC2=C(C(=C1)COS(=O)(=O)C)C(=C(C=C2)I)C3=CN(C4=CC=CC=C43)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC2=C(C(=C1)COS(=O)(=O)C)C(=C(C=C2)I)C3=CN(C4=CC=CC=C43)Cl

InChI

InChI=1S/C24H22ClIN2O5S/c1-24(2,3)33-23(29)19-11-14(13-32-34(4,30)31)21-18(27-19)10-9-17(26)22(21)16-12-28(25)20-8-6-5-7-15(16)20/h5-12H,13H2,1-4H3