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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-methoxy-4-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methoxy-4-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methoxy-4-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C18H18ClF3N4O5S MolecularWeight: 494.87253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O5S/c1-31-15-10-13(26(27)28)3-4-16(15)32(29,30)25-6-2-5-24(7-8-25)17-14(19)9-12(11-23-17)18(20,21)22/h3-4,9-11H,2,5-8H2,1H3