(2-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate

Systemtic Name: (2-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-chloranyl-benzoate Openeye Name: (2-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-chloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-chlorobenzoic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 5-(azepan-1-ylsulfonyl)-2-chlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-benzoic acid (2-chlorophenyl) 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)Cl)C(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C19H19Cl2NO4S/c20-16-10-9-14(27(24,25)22-11-5-1-2-6-12-22)13-15(16)19(23)26-18-8-4-3-7-17(18)21/h3-4,7-10,13H,1-2,5-6,11-12H2