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

Systemtic Name: (2,4-dimethylphenyl)-[1-(3-fluoranyl-4-methoxy-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: (2,4-dimethylphenyl)-[1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: (2,4-dimethylphenyl)-[1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: (2,4-dimethylphenyl)-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: (2,4-dimethylphenyl)-[1-(3-fluoro-4-methoxy-phenyl)sulfonyl-4-piperidyl]methanone Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C21H24FNO4S/c1-14-4-6-18(15(2)12-14)21(24)16-8-10-23(11-9-16)28(25,26)17-5-7-20(27-3)19(22)13-17/h4-7,12-13,16H,8-11H2,1-3H3