1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-fluoranyl-2-methyl-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-fluoro-2-methyl-phenyl)sulfonyl-piperazine CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(4-fluoro-2-methyl-phenyl)sulfonyl-piperazine Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)C)OC)OC

InChI

InChI=1S/C21H27FN2O4S/c1-15-12-19(27-3)20(28-4)13-17(15)14-23-7-9-24(10-8-23)29(25,26)21-6-5-18(22)11-16(21)2/h5-6,11-13H,7-10,14H2,1-4H3