N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C20H26F3N3O2S MolecularWeight: 429.49955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26F3N3O2S/c1-25-11-7-10-18(25)19(26-12-4-2-3-5-13-26)15-24-29(27,28)17-9-6-8-16(14-17)20(21,22)23/h6-11,14,19,24H,2-5,12-13,15H2,1H3