(2-chloranyl-6-fluoranyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFNO4S/c21-18-9-6-10-19(22)17(18)14-27-20(24)15-7-5-8-16(13-15)28(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2