(3-fluoranyl-4-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO5S/c1-27-20-11-6-16(14-19(20)22)15-28-21(24)17-7-9-18(10-8-17)29(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13,15H2,1H3