(2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone Formula: C23H29FN3O4S+ MolecularWeight: 462.557463

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)[C@H](C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H28FN3O4S/c24-20-7-9-21(10-8-20)32(29,30)27-12-4-11-25(13-14-27)22(19-5-2-1-3-6-19)23(28)26-15-17-31-18-16-26/h1-3,5-10,22H,4,11-18H2/p+1/t22-/m1/s1