[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazino]-(5-mesyl-2-methyl-phenyl)methanone Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H25FN2O4S/c1-15-4-6-18(29(3,26)27)13-19(15)21(25)24-10-8-23(9-11-24)14-16-12-17(22)5-7-20(16)28-2/h4-7,12-13H,8-11,14H2,1-3H3