[3-(dicyanomethylidene)-2-oxidanylidene-indol-1-yl]methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [3-(dicyanomethylidene)-2-oxidanylidene-indol-1-yl]methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [3-(dicyanomethylene)-2-oxo-indolin-1-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [3-(dicyanomethylidene)-2-oxo-1-indolyl]methyl ester IUPAC Name: [3-(dicyanomethylidene)-2-oxoindol-1-yl]methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [3-(dicyanomethylene)-2-keto-indolin-1-yl]methyl ester Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C3=CC=CC=C3C(=C(C#N)C#N)C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O5S/c25-14-18(15-26)22-20-8-4-5-9-21(20)28(23(22)29)16-33-24(30)17-10-12-27(13-11-17)34(31,32)19-6-2-1-3-7-19/h1-9,17H,10-13,16H2