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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C(C=C(C=C2)Cl)Cl)S(=O)(=O)N3CCCCCC3

InChI

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