N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H21ClF3N3O2S MolecularWeight: 483.93425

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N3O2S/c1-2-31-15-4-6-17-19(12-15)32-21(28-17)29-9-7-13(8-10-29)20(30)27-18-11-14(22(24,25)26)3-5-16(18)23/h3-6,11-13H,2,7-10H2,1H3,(H,27,30)