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

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2S)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-morpholino-2-phenyl-ethanone Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H29N3O5S/c1-30-20-7-9-21(10-8-20)32(28,29)26-13-11-24(12-14-26)22(19-5-3-2-4-6-19)23(27)25-15-17-31-18-16-25/h2-10,22H,11-18H2,1H3/p+1/t22-/m0/s1