2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3-methylidene-isoindol-1-one

Systemtic Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-3-methylidene-isoindol-1-one Openeye Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-3-methylene-isoindolin-1-one CAS Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-3-methylene-1-isoindolone IUPAC Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-3-methylideneisoindol-1-one Traditional Name: 2-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-3-methylene-isoindolin-1-one Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O4S/c1-16-19-5-2-3-6-20(19)22(28)26(16)15-21(27)24-11-4-12-25(14-13-24)31(29,30)18-9-7-17(23)8-10-18/h2-3,5-10H,1,4,11-15H2