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

Systemtic Name: (2,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2,4-dichlorobenzyl) ester Formula: C20H20Cl3NO4S MolecularWeight: 476.8011

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=C(C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C20H20Cl3NO4S/c21-16-7-5-15(18(23)12-16)13-28-20(25)14-6-8-17(22)19(11-14)29(26,27)24-9-3-1-2-4-10-24/h5-8,11-12H,1-4,9-10,13H2