N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridyl]piperidin-3-amine CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinamine IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-3-amine Traditional Name: piazthiol-5-ylmethyl-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]amine Formula: C18H18F3N5S MolecularWeight: 393.42923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NCC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2)C(F)(F)F)NCC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C18H18F3N5S/c19-18(20,21)13-4-6-17(23-10-13)26-7-1-2-14(11-26)22-9-12-3-5-15-16(8-12)25-27-24-15/h3-6,8,10,14,22H,1-2,7,9,11H2