[4-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propoxy]phenyl]-phenyl-methanone CAS Name: [4-[2-hydroxy-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[2-hydroxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propoxy]phenyl]-phenylmethanone Traditional Name: [4-[2-hydroxy-3-(4-tosylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Formula: C27H31N2O5S+ MolecularWeight: 495.61044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O5S/c1-21-7-13-26(14-8-21)35(32,33)29-17-15-28(16-18-29)19-24(30)20-34-25-11-9-23(10-12-25)27(31)22-5-3-2-4-6-22/h2-14,24,30H,15-20H2,1H3/p+1