[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O6S/c1-29-18-8-5-15(23(25)26)13-17(18)19(24)21-9-2-10-22(12-11-21)30(27,28)16-6-3-14(20)4-7-16/h3-8,13H,2,9-12H2,1H3