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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(trifluoromethyl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(trifluoromethyl)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)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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