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

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2,3-dichlorophenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2,3-dichlorophenyl) ester Formula: C19H18Cl3NO4S MolecularWeight: 462.77452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18Cl3NO4S/c20-14-9-8-13(19(24)27-16-7-5-6-15(21)18(16)22)12-17(14)28(25,26)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2