N-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxamide hydrate

Systemtic Name: N-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxamide hydrate Openeye Name: N-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]furan-2-carboxamide hydrate CAS Name: N-phenyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]-2-furancarboxamide hydrate IUPAC Name: N-phenyl-5-[[5-(trifluoromethyl)pyridin-2-yl]sulfonylmethyl]furan-2-carboxamide hydrate Traditional Name: N-phenyl-5-[[5-(trifluoromethyl)-2-pyridyl]sulfonylmethyl]-2-furamide hydrate Formula: C18H15F3N2O5S MolecularWeight: 428.38231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F.O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F.O

InChI

InChI=1S/C18H13F3N2O4S.H2O/c19-18(20,21)12-6-9-16(22-10-12)28(25,26)11-14-7-8-15(27-14)17(24)23-13-4-2-1-3-5-13;/h1-10H,11H2,(H,23,24);1H2