1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonylazepane

Systemtic Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonylazepane Openeye Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)sulfonylazepane CAS Name: 1-[3-nitro-4-(2-pyrimidinylthio)phenyl]sulfonylazepane IUPAC Name: 1-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)sulfonylazepane Traditional Name: 1-[3-nitro-4-(2-pyrimidylthio)phenyl]sulfonylazepane Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S2/c21-20(22)14-12-13(26(23,24)19-10-3-1-2-4-11-19)6-7-15(14)25-16-17-8-5-9-18-16/h5-9,12H,1-4,10-11H2