N-[(3-methylthiophen-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(3-methyl-2-thienyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-[(3-methyl-2-thienyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C18H20F3N3O3S2 MolecularWeight: 447.49491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3S2/c1-13-6-11-28-16(13)12-22-17(25)23-7-9-24(10-8-23)29(26,27)15-4-2-14(3-5-15)18(19,20)21/h2-6,11H,7-10,12H2,1H3,(H,22,25)