[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid phthalimidomethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O6S/c1-15-9-10-16(31(28,29)23-11-5-2-6-12-23)13-19(15)22(27)30-14-24-20(25)17-7-3-4-8-18(17)21(24)26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3