4-[4-(2-fluorophenyl)sulfanylphenyl]sulfonyl-N-oxidanyl-1-prop-2-ynyl-piperidine-4-carboxamide

Systemtic Name: 4-[4-(2-fluorophenyl)sulfanylphenyl]sulfonyl-N-oxidanyl-1-prop-2-ynyl-piperidine-4-carboxamide Openeye Name: 4-[4-(2-fluorophenyl)sulfanylphenyl]sulfonyl-1-prop-2-ynyl-piperidine-4-carbohydroxamic acid CAS Name: 4-[4-[(2-fluorophenyl)thio]phenyl]sulfonyl-N-hydroxy-1-prop-2-ynyl-4-piperidinecarboxamide IUPAC Name: 4-[4-(2-fluorophenyl)sulfanylphenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide Traditional Name: 4-[4-[(2-fluorophenyl)thio]phenyl]sulfonyl-1-propargyl-piperidine-4-carbohydroxamic acid Formula: C21H21FN2O4S2 MolecularWeight: 448.530843

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3F

Isomeric SMILES

C#CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN2O4S2/c1-2-13-24-14-11-21(12-15-24,20(25)23-26)30(27,28)17-9-7-16(8-10-17)29-19-6-4-3-5-18(19)22/h1,3-10,26H,11-15H2,(H,23,25)