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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-(2-phenylpropan-2-yl)phenol Openeye Name: 4-(1-methyl-1-phenyl-ethyl)-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-(2-phenylpropan-2-yl)phenol IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-(2-phenylpropan-2-yl)phenol Traditional Name: 4-cumyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C27H33N2O3S+ MolecularWeight: 465.62752

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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)C(C)(C)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3S/c1-21-9-12-25(13-10-21)33(31,32)29-17-15-28(16-18-29)20-22-19-24(11-14-26(22)30)27(2,3)23-7-5-4-6-8-23/h4-14,19,30H,15-18,20H2,1-3H3/p+1