1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one CAS Name: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 1-(4-nitrophenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 1-nosyl-1,4-diazepan-5-one Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCNC1=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c15-11-5-7-13(8-6-12-11)20(18,19)10-3-1-9(2-4-10)14(16)17/h1-4H,5-8H2,(H,12,15)