(2-fluorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-fluorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-fluorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-fluorobenzyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3F

InChI

InChI=1S/C20H22FNO4S/c21-19-8-4-3-7-17(19)15-26-20(23)16-9-11-18(12-10-16)27(24,25)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-15H2