2-fluoranyl-4-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 2-fluoranyl-4-[4-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]benzaldehyde Openeye Name: 2-fluoro-4-[4-(2-isopropoxy-5-methylsulfonyl-benzoyl)piperazin-1-yl]benzaldehyde CAS Name: 2-fluoro-4-[4-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 2-fluoro-4-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]benzaldehyde Traditional Name: 2-fluoro-4-[4-(2-isopropoxy-5-mesyl-benzoyl)piperazino]benzaldehyde Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)C=O)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)C=O)F

InChI

InChI=1S/C22H25FN2O5S/c1-15(2)30-21-7-6-18(31(3,28)29)13-19(21)22(27)25-10-8-24(9-11-25)17-5-4-16(14-26)20(23)12-17/h4-7,12-15H,8-11H2,1-3H3