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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid phthalimidomethyl ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O6S/c22-15-5-7-16(8-6-15)31(28,29)23-11-9-14(10-12-23)21(27)30-13-24-19(25)17-3-1-2-4-18(17)20(24)26/h1-8,14H,9-13H2