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

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 4-phthalimidobutyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H28N2O6S/c1-18-11-12-19(17-22(18)34(31,32)26-13-5-2-6-14-26)25(30)33-16-8-7-15-27-23(28)20-9-3-4-10-21(20)24(27)29/h3-4,9-12,17H,2,5-8,13-16H2,1H3