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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid 2-phthalimidoethyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O6S/c23-16-5-7-17(8-6-16)32(29,30)24-11-9-15(10-12-24)22(28)31-14-13-25-20(26)18-3-1-2-4-19(18)21(25)27/h1-8,15H,9-14H2