[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]benzoate Openeye Name: [2-(2-methoxy-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoate CAS Name: 3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoic acid [2-[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoic acid [2-keto-2-(2-methoxy-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C27H28BrN3O9S2 MolecularWeight: 682.55992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC

InChI

InChI=1S/C27H28BrN3O9S2/c1-18-6-8-22(28)23(14-18)30-41(34,35)20-5-3-4-19(15-20)27(33)40-17-26(32)29-24-16-21(7-9-25(24)38-2)42(36,37)31-10-12-39-13-11-31/h3-9,14-16,30H,10-13,17H2,1-2H3,(H,29,32)