1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(4-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-nosyl-1,4-diazepane Formula: C17H16ClF3N4O4S MolecularWeight: 464.84655

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C17H16ClF3N4O4S/c18-15-10-12(17(19,20)21)11-22-16(15)23-6-1-7-24(9-8-23)30(28,29)14-4-2-13(3-5-14)25(26)27/h2-5,10-11H,1,6-9H2