2-[[(4-fluorophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-fluorophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-fluorophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[(4-fluorophenyl)sulfonyl-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-fluorophenyl)sulfonyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-fluorophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C17H22FN3O3S2 MolecularWeight: 399.503283

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FN3O3S2/c1-3-9-19-17(22)15-12-25-16(20-15)11-21(10-4-2)26(23,24)14-7-5-13(18)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,22)