3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2,2,2-tris(fluoranyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[2,2,2-tris(fluoranyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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)C(=O)NCC(F)(F)F)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

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

InChI

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