[3-(2-iodanylethyl)-1-(4-methylphenyl)sulfonyl-indol-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(2-iodanylethyl)-1-(4-methylphenyl)sulfonyl-indol-5-yl] 4-methylbenzenesulfonate Openeye Name: [3-(2-iodoethyl)-1-(p-tolylsulfonyl)indol-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(2-iodoethyl)-1-(4-methylphenyl)sulfonyl-5-indolyl] ester IUPAC Name: [3-(2-iodoethyl)-1-(4-methylphenyl)sulfonylindol-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(2-iodoethyl)-1-tosyl-indol-5-yl] ester Formula: C24H22INO5S2 MolecularWeight: 595.46965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)CCI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)C)CCI

InChI

InChI=1S/C24H22INO5S2/c1-17-3-8-21(9-4-17)32(27,28)26-16-19(13-14-25)23-15-20(7-12-24(23)26)31-33(29,30)22-10-5-18(2)6-11-22/h3-12,15-16H,13-14H2,1-2H3