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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid 4-phthalimidobutyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6S/c28-23(18-19-10-12-20(13-11-19)34(31,32)26-14-4-1-5-15-26)33-17-7-6-16-27-24(29)21-8-2-3-9-22(21)25(27)30/h2-3,8-13H,1,4-7,14-18H2