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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O5S/c1-14-13-15(3-8-18(14)23(25)26)19(24)21-9-2-10-22(12-11-21)29(27,28)17-6-4-16(20)5-7-17/h3-8,13H,2,9-12H2,1H3