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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O4S/c1-30-19-11-10-15(31(28,29)26-12-6-2-3-7-13-26)14-16(19)20(27)25-18-9-5-4-8-17(18)21(22,23)24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,25,27)