2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid 2-phthalimidoethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6S/c25-20-18-8-4-5-9-19(18)21(26)24(20)14-15-30-22(27)16-10-12-23(13-11-16)31(28,29)17-6-2-1-3-7-17/h1-9,16H,10-15H2