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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid phthalimidomethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N2O6S/c25-20-18-7-3-4-8-19(18)21(26)24(20)15-30-22(27)16-9-11-17(12-10-16)31(28,29)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2