[3-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C22H24F3NO5S MolecularWeight: 471.48987

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H24F3NO5S/c1-30-19-10-9-17(14-20(19)32(28,29)26-11-4-2-3-5-12-26)21(27)31-15-16-7-6-8-18(13-16)22(23,24)25/h6-10,13-14H,2-5,11-12,15H2,1H3