5-chloranyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: 5-chloranyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: 5-chloro-N-[(2-morpholinosulfonylphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: 5-chloro-N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: 5-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-(2-morpholinosulfonylbenzyl)amine Formula: C18H17ClF3N3O5S MolecularWeight: 479.85789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC3=C(C=C(C(=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClF3N3O5S/c19-14-10-15(16(25(26)27)9-13(14)18(20,21)22)23-11-12-3-1-2-4-17(12)31(28,29)24-5-7-30-8-6-24/h1-4,9-10,23H,5-8,11H2