[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C20H22ClN3O8S2 MolecularWeight: 531.98698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22ClN3O8S2/c1-13(19(25)23-15-3-5-16(6-4-15)33(22,27)28)32-20(26)14-2-7-17(21)18(12-14)34(29,30)24-8-10-31-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,25)(H2,22,27,28)