N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C23H23F3N4O3S MolecularWeight: 492.51393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H23F3N4O3S/c24-23(25,26)21-20(16-27-30(21)18-10-4-3-5-11-18)22(31)28-17-9-8-12-19(15-17)34(32,33)29-13-6-1-2-7-14-29/h3-5,8-12,15-16H,1-2,6-7,13-14H2,(H,28,31)