N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)pyrrole-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)pyrrole-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)pyrrole-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)-2-pyrrolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)pyrrole-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-(trifluoromethyl)pyrrole-2-carboxamide Formula: C19H22F3N3O3S MolecularWeight: 429.45649

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3S/c1-24-13-14(19(20,21)22)12-17(24)18(26)23-15-6-8-16(9-7-15)29(27,28)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,26)