(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4)C

InChI

InChI=1S/C24H31N3O4S/c1-19-8-9-22(18-20(19)2)32(29,30)27-12-10-25(11-13-27)23(21-6-4-3-5-7-21)24(28)26-14-16-31-17-15-26/h3-9,18,23H,10-17H2,1-2H3/p+1/t23-/m0/s1