N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-chloranyl-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-2-chloranyl-5-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide Formula: C15H18ClF3N2O3S MolecularWeight: 398.82823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C15H18ClF3N2O3S/c16-12-6-5-11(15(17,18)19)9-13(12)25(23,24)20-10-14(22)21-7-3-1-2-4-8-21/h5-6,9,20H,1-4,7-8,10H2