[2,3-bis(chloranyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,3-dichlorophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2,3-dichlorophenyl) ester Formula: C19H19Cl2NO4S MolecularWeight: 428.32946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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