2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-phenol

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-phenol Openeye Name: 4-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-phenylphenol IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenylphenol Traditional Name: 4-phenyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C24H27N2O3S+ MolecularWeight: 423.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H26N2O3S/c1-19-7-10-23(11-8-19)30(28,29)26-15-13-25(14-16-26)18-22-17-21(9-12-24(22)27)20-5-3-2-4-6-20/h2-12,17,27H,13-16,18H2,1H3/p+1