[3-(dicyanomethylidene)-2-oxidanylidene-indol-1-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [3-(dicyanomethylidene)-2-oxidanylidene-indol-1-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [3-(dicyanomethylene)-2-oxo-indolin-1-yl]methyl 1-(p-tolylsulfonyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-piperidinecarboxylic acid [3-(dicyanomethylidene)-2-oxo-1-indolyl]methyl ester IUPAC Name: [3-(dicyanomethylidene)-2-oxoindol-1-yl]methyl 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-tosylnipecotic acid [3-(dicyanomethylene)-2-keto-indolin-1-yl]methyl ester Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OCN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OCN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

InChI

InChI=1S/C25H22N4O5S/c1-17-8-10-20(11-9-17)35(32,33)28-12-4-5-18(15-28)25(31)34-16-29-22-7-3-2-6-21(22)23(24(29)30)19(13-26)14-27/h2-3,6-11,18H,4-5,12,15-16H2,1H3