N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide Formula: C21H25F3N4O3S MolecularWeight: 470.50841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C21H25F3N4O3S/c22-21(23,24)19-13-18(15-5-6-15)28(26-19)14-20(29)25-16-7-9-17(10-8-16)32(30,31)27-11-3-1-2-4-12-27/h7-10,13,15H,1-6,11-12,14H2,(H,25,29)