[1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-indol-5-yl] methanesulfonate

Systemtic Name: [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-indol-5-yl] methanesulfonate Openeye Name: [4-allyl-1-methyl-3-(p-tolylsulfonyl)indol-5-yl] methanesulfonate CAS Name: methanesulfonic acid [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-5-indolyl] ester IUPAC Name: [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enylindol-5-yl] methanesulfonate Traditional Name: methanesulfonic acid (4-allyl-1-methyl-3-tosyl-indol-5-yl) ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C(=C(C=C3)OS(=O)(=O)C)CC=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C(=C(C=C3)OS(=O)(=O)C)CC=C)C

InChI

InChI=1S/C20H21NO5S2/c1-5-6-16-18(26-27(4,22)23)12-11-17-20(16)19(13-21(17)3)28(24,25)15-9-7-14(2)8-10-15/h5,7-13H,1,6H2,2-4H3