N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(3-methoxyphenyl)but-3-yn-2-yl]-N-oxidanyl-methanamide

Systemtic Name: N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(3-methoxyphenyl)but-3-yn-2-yl]-N-oxidanyl-methanamide Openeye Name: N-[1-[[4-(4-fluorophenyl)piperazin-1-yl]sulfonylmethyl]-3-(3-methoxyphenyl)prop-2-ynyl]-N-hydroxy-formamide CAS Name: N-[1-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-4-(3-methoxyphenyl)but-3-yn-2-yl]-N-hydroxyformamide IUPAC Name: N-[1-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-4-(3-methoxyphenyl)but-3-yn-2-yl]-N-hydroxyformamide Traditional Name: N-[1-[[4-(4-fluorophenyl)piperazino]sulfonylmethyl]-3-(3-methoxyphenyl)prop-2-ynyl]-N-hydroxy-formamide Formula: C22H24FN3O5S MolecularWeight: 461.506463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C#CC(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)N(C=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C#CC(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F)N(C=O)O

InChI

InChI=1S/C22H24FN3O5S/c1-31-22-4-2-3-18(15-22)5-8-21(26(28)17-27)16-32(29,30)25-13-11-24(12-14-25)20-9-6-19(23)7-10-20/h2-4,6-7,9-10,15,17,21,28H,11-14,16H2,1H3