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

Systemtic Name: [2-oxidanylidene-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[[4-(4-phenylphenyl)-2-thiazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-keto-2-[[4-(4-phenylphenyl)thiazol-2-yl]amino]ethyl] ester Formula: C28H24BrN3O6S2 MolecularWeight: 642.54066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C5=CC=CC=C5)Br

InChI

InChI=1S/C28H24BrN3O6S2/c29-23-11-10-22(16-25(23)40(35,36)32-12-14-37-15-13-32)27(34)38-17-26(33)31-28-30-24(18-39-28)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2,(H,30,31,33)