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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C19H23F3N2O2S2 MolecularWeight: 432.52333

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C19H23F3N2O2S2/c20-19(21,22)16-6-5-7-17(12-16)28(25,26)23-13-18(15-8-11-27-14-15)24-9-3-1-2-4-10-24/h5-8,11-12,14,18,23H,1-4,9-10,13H2