N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,3,3-tris(fluoranyl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,3,3-tris(fluoranyl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,3,3-trifluoro-propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3,3,3-trifluoropropanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,3,3-trifluoropropanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3,3,3-trifluoro-propionamide 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)NC(=O)CC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O4S/c1-25-14-7-6-12(10-13(14)20-15(22)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)