N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-1-mesyl-nipecotamide Formula: C20H28F3N3O3S MolecularWeight: 447.51483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

InChI

InChI=1S/C20H28F3N3O3S/c1-30(28,29)26-12-6-7-15(14-26)19(27)24-17-13-16(20(21,22)23)8-9-18(17)25-10-4-2-3-5-11-25/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,24,27)