5-(azepan-1-ylsulfonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-benzamide Formula: C21H22ClF3N2O4S MolecularWeight: 490.92359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N2O4S/c1-31-19-9-7-15(32(29,30)27-10-4-2-3-5-11-27)13-16(19)20(28)26-18-12-14(21(23,24)25)6-8-17(18)22/h6-9,12-13H,2-5,10-11H2,1H3,(H,26,28)