[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-isopropylsulfonylphenyl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazino]-(4-isopropylsulfonylphenyl)methanone Formula: C22H27FN2O4S MolecularWeight: 434.524183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O4S/c1-16(2)30(27,28)19-7-5-18(6-8-19)22(26)25-12-10-24(11-13-25)15-17-4-9-21(29-3)20(23)14-17/h4-9,14,16H,10-13,15H2,1-3H3