(2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2S)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone Formula: C22H27ClN3O4S+ MolecularWeight: 464.98548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O4S/c23-19-6-8-20(9-7-19)31(28,29)26-12-10-24(11-13-26)21(18-4-2-1-3-5-18)22(27)25-14-16-30-17-15-25/h1-9,21H,10-17H2/p+1/t21-/m0/s1