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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H28N2O6S/c28-23-21-12-3-4-13-22(21)24(29)27(23)16-7-8-17-33-25(30)19-10-9-11-20(18-19)34(31,32)26-14-5-1-2-6-15-26/h3-4,9-13,18H,1-2,5-8,14-17H2