[4-[(2S)-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-[4-(4-morpholinylsulfonyl)-1-piperazin-1-iumyl]propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-morpholin-4-ylsulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-(4-morpholinosulfonylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Formula: C24H32N3O6S+ MolecularWeight: 490.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H31N3O6S/c28-22(18-25-10-12-26(13-11-25)34(30,31)27-14-16-32-17-15-27)19-33-23-8-6-21(7-9-23)24(29)20-4-2-1-3-5-20/h1-9,22,28H,10-19H2/p+1/t22-/m0/s1