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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCN3C4=CC=CC=C4C(=C(C#N)C#N)C3=O

InChI

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