4-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H18F3N3O6S MolecularWeight: 461.41223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O6S/c1-29-17-5-3-13(11-16(17)24(25)26)31(27,28)22-14-10-12(18(19,20)21)2-4-15(14)23-6-8-30-9-7-23/h2-5,10-11,22H,6-9H2,1H3