4-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[oxo-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]amino]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[5-(undecylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Formula: C20H29FN4O3S2 MolecularWeight: 456.597663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F

Isomeric SMILES

CCCCCCCCCCCNC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)F

InChI

InChI=1S/C20H29FN4O3S2/c1-2-3-4-5-6-7-8-9-10-15-22-19-24-25-20(29-19)23-18(26)16-11-13-17(14-12-16)30(21,27)28/h11-14H,2-10,15H2,1H3,(H,22,24)(H,23,25,26)