2-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]propanoylamino]thiophene-3-carboxamide Formula: C19H21F3N4O4S2 MolecularWeight: 490.51965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4O4S2/c1-12(17(28)24-18-15(16(23)27)6-11-31-18)25-7-9-26(10-8-25)32(29,30)14-4-2-13(3-5-14)19(20,21)22/h2-6,11-12H,7-10H2,1H3,(H2,23,27)(H,24,28)