(3,4-dichlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (3,4-dichlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (3,4-dichlorobenzyl) ester Formula: C21H23Cl2NO5S MolecularWeight: 472.38202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2NO5S/c1-28-20-9-7-16(30(26,27)24-10-4-2-3-5-11-24)13-17(20)21(25)29-14-15-6-8-18(22)19(23)12-15/h6-9,12-13H,2-5,10-11,14H2,1H3