[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(3-fluoro-4-methoxy-phenyl)methanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-14-4-6-17(12-15(14)2)28(25,26)23-10-8-22(9-11-23)20(24)16-5-7-19(27-3)18(21)13-16/h4-7,12-13H,8-11H2,1-3H3