N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(4-methyl-3-morpholinosulfonyl-phenyl)amine Formula: C18H17F3N4O7S MolecularWeight: 490.41039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H17F3N4O7S/c1-11-2-3-13(10-16(11)33(30,31)23-4-6-32-7-5-23)22-17-14(24(26)27)8-12(18(19,20)21)9-15(17)25(28)29/h2-3,8-10,22H,4-7H2,1H3