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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone Formula: C18H17ClFN3O5S MolecularWeight: 441.861083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClFN3O5S/c19-17-12-14(23(25)26)4-7-16(17)18(24)21-8-1-9-22(11-10-21)29(27,28)15-5-2-13(20)3-6-15/h2-7,12H,1,8-11H2