[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-fluoranyl-4-methoxy-phenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-(2-fluoro-4-methoxyphenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonylpiperazino]-(2-fluoro-4-methoxy-phenyl)methanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=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)18-7-5-16(27-3)13-19(18)21/h4-7,12-13H,8-11H2,1-3H3