2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methyl]-4,5-dimethyl-phenol Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-15-11-17(19(24)12-16(15)2)14-22-7-9-23(10-8-22)29(25,26)18-5-6-20(27-3)21(13-18)28-4/h5-6,11-13,24H,7-10,14H2,1-4H3