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

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C18H18ClF3N4O4S MolecularWeight: 478.87313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4O4S/c1-12-3-4-14(26(27)28)10-16(12)31(29,30)25-6-2-5-24(7-8-25)17-15(19)9-13(11-23-17)18(20,21)22/h3-4,9-11H,2,5-8H2,1H3