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

Systemtic Name: dimethyl 2-[1-(4-methylphenyl)sulfonylindol-3-yl]propanedioate Openeye Name: dimethyl 2-[1-(p-tolylsulfonyl)indol-3-yl]propanedioate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-3-indolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methylphenyl)sulfonylindol-3-yl]propanedioate Traditional Name: 2-(1-tosylindol-3-yl)malonic acid dimethyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S/c1-13-8-10-14(11-9-13)28(24,25)21-12-16(15-6-4-5-7-17(15)21)18(19(22)26-2)20(23)27-3/h4-12,18H,1-3H3