[2,3-bis(chloranyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,3-dichlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2,3-dichlorophenyl) ester Formula: C19H19Cl2NO4S MolecularWeight: 428.32946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2NO4S/c20-16-9-6-10-17(18(16)21)26-19(23)14-7-5-8-15(13-14)27(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2