1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-nitrophenyl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O5S/c20-16-4-8-18(9-5-16)29(27,28)22-11-1-10-21(12-13-22)19(24)14-15-2-6-17(7-3-15)23(25)26/h2-9H,1,10-14H2