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

Systemtic Name: 4-[[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Openeye Name: 4-[[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride CAS Name: 4-[oxo-[[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]amino]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Traditional Name: 4-[[5-(4-phenylbutylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfonyl fluoride Formula: C19H19FN4O3S2 MolecularWeight: 434.507563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)F

InChI

InChI=1S/C19H19FN4O3S2/c20-29(26,27)16-11-9-15(10-12-16)17(25)22-19-24-23-18(28-19)21-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,21,23)(H,22,24,25)