1-(4-fluoranyl-2-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-tosyl-1,4-diazepane Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O4S/c1-14-3-6-16(7-4-14)27(25,26)21-10-2-9-20(11-12-21)17-8-5-15(19)13-18(17)22(23)24/h3-8,13H,2,9-12H2,1H3