[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid phthalimidomethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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