3-chloranyl-7-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[2-piperidino-5-(trifluoromethyl)phenyl]benzothiophene-2-carboxamide Formula: C21H17ClF3N3O3S MolecularWeight: 483.89119

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClF3N3O3S/c22-17-13-5-4-6-16(28(30)31)18(13)32-19(17)20(29)26-14-11-12(21(23,24)25)7-8-15(14)27-9-2-1-3-10-27/h4-8,11H,1-3,9-10H2,(H,26,29)