5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-prop-2-enyl-isoindole-1,3-dione

Systemtic Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]isoindoline-1,3-quinone Formula: C23H22FN3O5S MolecularWeight: 471.501283

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O5S/c1-2-10-27-22(29)19-9-4-16(15-20(19)23(27)30)21(28)25-11-3-12-26(14-13-25)33(31,32)18-7-5-17(24)6-8-18/h2,4-9,15H,1,3,10-14H2