5-(azepan-1-ylsulfonyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxy-benzamide Formula: C21H22ClF3N2O4S MolecularWeight: 490.92359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)26-14-6-8-18(22)17(12-14)21(23,24)25/h6-9,12-13H,2-5,10-11H2,1H3,(H,26,28)