3-methylsulfonyl-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-6,7-dihydro-2-benzothiophene-1-carboxamide

Systemtic Name: 3-methylsulfonyl-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-6,7-dihydro-2-benzothiophene-1-carboxamide Openeye Name: 3-methylsulfonyl-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-6,7-dihydro-2-benzothiophene-1-carboxamide CAS Name: 3-methylsulfonyl-N-[oxo-[3-(trifluoromethyl)anilino]methyl]-6,7-dihydro-2-benzothiophene-1-carboxamide IUPAC Name: 3-methylsulfonyl-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-6,7-dihydro-2-benzothiophene-1-carboxamide Traditional Name: 3-mesyl-N-[[3-(trifluoromethyl)phenyl]carbamoyl]-6,7-dihydroisobenzothiophene-1-carboxamide Formula: C18H15F3N2O4S2 MolecularWeight: 444.44791

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O4S2/c1-29(26,27)16-13-8-3-2-7-12(13)14(28-16)15(24)23-17(25)22-11-6-4-5-10(9-11)18(19,20)21/h3-6,8-9H,2,7H2,1H3,(H2,22,23,24,25)