2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-4,5-dimethyl-phenol Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-15-5-6-21(18(4)11-15)27(25,26)23-9-7-22(8-10-23)14-19-12-16(2)17(3)13-20(19)24/h5-6,11-13,24H,7-10,14H2,1-4H3