phenyl 4-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: phenyl 4-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: phenyl 4-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[4-bromo-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoic acid phenyl ester Formula: C24H21BrN2O6S MolecularWeight: 545.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC4=CC=CC=C4)Br

InChI

InChI=1S/C24H21BrN2O6S/c25-21-11-8-18(16-22(21)34(30,31)27-12-14-32-15-13-27)23(28)26-19-9-6-17(7-10-19)24(29)33-20-4-2-1-3-5-20/h1-11,16H,12-15H2,(H,26,28)