2-(1-methylsulfonyl-3-oxidanylidene-1,2-diazepan-4-yl)isoindole-1,3-dione

Systemtic Name: 2-(1-methylsulfonyl-3-oxidanylidene-1,2-diazepan-4-yl)isoindole-1,3-dione Openeye Name: 2-(1-methylsulfonyl-3-oxo-diazepan-4-yl)isoindoline-1,3-dione CAS Name: 2-(1-methylsulfonyl-3-oxo-4-diazepanyl)isoindole-1,3-dione IUPAC Name: 2-(1-methylsulfonyl-3-oxodiazepan-4-yl)isoindole-1,3-dione Traditional Name: 2-(3-keto-1-mesyl-diazepan-4-yl)isoindoline-1,3-quinone Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)N1CCCC(C(=O)N1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H15N3O5S/c1-23(21,22)16-8-4-7-11(12(18)15-16)17-13(19)9-5-2-3-6-10(9)14(17)20/h2-3,5-6,11H,4,7-8H2,1H3,(H,15,18)