3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(trifluoromethyl)cyclohexyl]propionamide Formula: C22H31F3N2O3S MolecularWeight: 460.55335

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CCCC(C3)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3CCCC(C3)C(F)(F)F

InChI

InChI=1S/C22H31F3N2O3S/c23-22(24,25)18-6-5-7-19(16-18)26-21(28)13-10-17-8-11-20(12-9-17)31(29,30)27-14-3-1-2-4-15-27/h8-9,11-12,18-19H,1-7,10,13-16H2,(H,26,28)