(3-chlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (3-chlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (3-chlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (3-chlorobenzyl) ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClNO5S/c1-27-20-10-9-18(29(25,26)23-11-4-2-3-5-12-23)14-19(20)21(24)28-15-16-7-6-8-17(22)13-16/h6-10,13-14H,2-5,11-12,15H2,1H3