2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

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