[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid phthalimidomethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O6S/c24-19-17-9-2-3-10-18(17)20(25)23(19)14-29-21(26)15-7-6-8-16(13-15)30(27,28)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2