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

Systemtic Name: 4-chloranyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-nitro-benzenesulfonamide Formula: C17H15ClF3N3O5S MolecularWeight: 465.83131

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClF3N3O5S/c18-13-3-2-12(10-16(13)24(25)26)30(27,28)22-14-9-11(17(19,20)21)1-4-15(14)23-5-7-29-8-6-23/h1-4,9-10,22H,5-8H2