N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-3-nitro-benzenesulfonamide Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1COCCN1[C@@H](CNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O5S/c19-15-6-4-14(5-7-15)18(21-8-10-27-11-9-21)13-20-28(25,26)17-3-1-2-16(12-17)22(23)24/h1-7,12,18,20H,8-11,13H2/t18-/m0/s1