1-[4-(3-fluorophenyl)sulfonyl-3-nitro-phenyl]-1,4-diazepane

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonyl-3-nitro-phenyl]-1,4-diazepane Openeye Name: 1-[4-(3-fluorophenyl)sulfonyl-3-nitro-phenyl]-1,4-diazepane CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-3-nitrophenyl]-1,4-diazepane IUPAC Name: 1-[4-(3-fluorophenyl)sulfonyl-3-nitrophenyl]-1,4-diazepane Traditional Name: 1-[4-(3-fluorophenyl)sulfonyl-3-nitro-phenyl]-1,4-diazepane Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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