1-[2-fluoranyl-4-(2-nitrophenyl)sulfonyl-phenyl]-1,4-diazepane

Systemtic Name: 1-[2-fluoranyl-4-(2-nitrophenyl)sulfonyl-phenyl]-1,4-diazepane Openeye Name: 1-[2-fluoro-4-(2-nitrophenyl)sulfonyl-phenyl]-1,4-diazepane CAS Name: 1-[2-fluoro-4-(2-nitrophenyl)sulfonylphenyl]-1,4-diazepane IUPAC Name: 1-[2-fluoro-4-(2-nitrophenyl)sulfonylphenyl]-1,4-diazepane Traditional Name: 1-[2-fluoro-4-(2-nitrophenyl)sulfonyl-phenyl]-1,4-diazepane Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])F

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C17H18FN3O4S/c18-14-12-13(6-7-15(14)20-10-3-8-19-9-11-20)26(24,25)17-5-2-1-4-16(17)21(22)23/h1-2,4-7,12,19H,3,8-11H2