4-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide Traditional Name: 4-[[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H23F3N4O3S MolecularWeight: 444.47113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23F3N4O3S/c1-25-12-14(11-17(25)18(23)27)30(28,29)24-15-10-13(19(20,21)22)6-7-16(15)26-8-4-2-3-5-9-26/h6-7,10-12,24H,2-5,8-9H2,1H3,(H2,23,27)