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

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(4-fluorophenyl)sulfonyl-piperazine CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(4-fluorophenyl)sulfonyl-piperazine Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O4S/c1-15-12-19(26-2)20(27-3)13-16(15)14-22-8-10-23(11-9-22)28(24,25)18-6-4-17(21)5-7-18/h4-7,12-13H,8-11,14H2,1-3H3