methyl 3-[[4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoyl]amino]benzoate CAS Name: 3-[[[4-chloro-3-(2-oxolanylmethylsulfamoyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate Traditional Name: 3-[[4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoyl]amino]benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C20H21ClN2O6S/c1-28-20(25)14-4-2-5-15(10-14)23-19(24)13-7-8-17(21)18(11-13)30(26,27)22-12-16-6-3-9-29-16/h2,4-5,7-8,10-11,16,22H,3,6,9,12H2,1H3,(H,23,24)