3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3,5-bis(trifluoromethyl)phenyl]benzamide Formula: C21H20F6N2O3S MolecularWeight: 494.450519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6N2O3S/c22-20(23,24)15-11-16(21(25,26)27)13-17(12-15)28-19(30)14-6-5-7-18(10-14)33(31,32)29-8-3-1-2-4-9-29/h5-7,10-13H,1-4,8-9H2,(H,28,30)