[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-methyl-3-nitro-phenyl)methanone Formula: C19H20FN3O5S MolecularWeight: 421.442603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O5S/c1-14-17(4-2-5-18(14)23(25)26)19(24)21-10-3-11-22(13-12-21)29(27,28)16-8-6-15(20)7-9-16/h2,4-9H,3,10-13H2,1H3