(2-chloranyl-6-fluoranyl-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C21H23ClFNO5S MolecularWeight: 455.927423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H23ClFNO5S/c1-28-20-10-9-15(30(26,27)24-11-4-2-3-5-12-24)13-16(20)21(25)29-14-17-18(22)7-6-8-19(17)23/h6-10,13H,2-5,11-12,14H2,1H3