dimethyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[1-(p-tolylsulfonyl)indol-3-yl]methyl]propanedioate CAS Name: 2-[[1-(4-methylphenyl)sulfonyl-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]propanedioate Traditional Name: 2-[(1-tosylindol-3-yl)methyl]malonic acid dimethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21NO6S/c1-14-8-10-16(11-9-14)29(25,26)22-13-15(17-6-4-5-7-19(17)22)12-18(20(23)27-2)21(24)28-3/h4-11,13,18H,12H2,1-3H3