4-(1-ethanimidoylpiperidin-4-yl)-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-(1-ethanimidoylpiperidin-4-yl)-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-(1-ethanimidoyl-4-piperidyl)-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-[1-(1-iminoethyl)-4-piperidinyl]-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-(1-ethanimidoylpiperidin-4-yl)-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-(1-acetimidoyl-4-piperidyl)-3-methoxy-2-[3-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C21H24F3N3O3S MolecularWeight: 455.49377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)C2=C(C(=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(F)(F)F)OC

Isomeric SMILES

CC(=N)N1CCC(CC1)C2=C(C(=C(C=C2)S(=O)(=O)N)C3=CC(=CC=C3)C(F)(F)F)OC

InChI

InChI=1S/C21H24F3N3O3S/c1-13(25)27-10-8-14(9-11-27)17-6-7-18(31(26,28)29)19(20(17)30-2)15-4-3-5-16(12-15)21(22,23)24/h3-7,12,14,25H,8-11H2,1-2H3,(H2,26,28,29)