4-(4-nitrophenyl)sulfonylazepan-2-one

Systemtic Name: 4-(4-nitrophenyl)sulfonylazepan-2-one Openeye Name: 4-(4-nitrophenyl)sulfonylazepan-2-one CAS Name: 4-(4-nitrophenyl)sulfonyl-2-azepanone IUPAC Name: 4-(4-nitrophenyl)sulfonylazepan-2-one Traditional Name: 4-nosylazepan-2-one Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC(CC(=O)NC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5S/c15-12-8-11(2-1-7-13-12)20(18,19)10-5-3-9(4-6-10)14(16)17/h3-6,11H,1-2,7-8H2,(H,13,15)