2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: 2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenol CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: 4-(1,1,3,3-tetramethylbutyl)-2-[(4-tosylpiperazino)methyl]phenol Formula: C26H38N2O3S MolecularWeight: 458.65652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)O

InChI

InChI=1S/C26H38N2O3S/c1-20-7-10-23(11-8-20)32(30,31)28-15-13-27(14-16-28)18-21-17-22(9-12-24(21)29)26(5,6)19-25(2,3)4/h7-12,17,29H,13-16,18-19H2,1-6H3