2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 2-phthalimidoethyl ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O6S/c26-21-19-10-3-4-11-20(19)22(27)25(21)14-15-31-23(28)17-8-7-9-18(16-17)32(29,30)24-12-5-1-2-6-13-24/h3-4,7-11,16H,1-2,5-6,12-15H2