4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid 4-phthalimidobutyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H30N2O6S/c29-24(34-19-7-6-18-28-25(30)22-8-2-3-9-23(22)26(28)31)15-12-20-10-13-21(14-11-20)35(32,33)27-16-4-1-5-17-27/h2-3,8-11,13-14H,1,4-7,12,15-19H2