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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(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(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O4S/c1-30-19-10-9-17(31(28,29)26-11-4-2-3-5-12-26)14-18(19)20(27)25-16-8-6-7-15(13-16)21(22,23)24/h6-10,13-14H,2-5,11-12H2,1H3,(H,25,27)