N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C20H26F3N3O3S MolecularWeight: 445.49895

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)N3CCCCCC3

Isomeric SMILES

CN1C=CC=C1C(CNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)N3CCCCCC3

InChI

InChI=1S/C20H26F3N3O3S/c1-25-12-6-7-18(25)19(26-13-4-2-3-5-14-26)15-24-30(27,28)17-10-8-16(9-11-17)29-20(21,22)23/h6-12,19,24H,2-5,13-15H2,1H3