5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide Formula: C16H21F3N2O4S MolecularWeight: 394.40915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC(F)(F)F

InChI

InChI=1S/C16H21F3N2O4S/c1-25-14-7-6-12(10-13(14)15(22)20-11-16(17,18)19)26(23,24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,22)