[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-keto-2-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C23H22BrN3O7S2 MolecularWeight: 596.47068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H22BrN3O7S2/c1-32-17-5-2-15(3-6-17)19-14-35-23(25-19)26-21(28)13-34-22(29)16-4-7-18(24)20(12-16)36(30,31)27-8-10-33-11-9-27/h2-7,12,14H,8-11,13H2,1H3,(H,25,26,28)