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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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)C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

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