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

Systemtic Name: 3-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 3-[[[4-bromo-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoate Formula: C18H16BrN2O6S- MolecularWeight: 468.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O6S/c19-15-5-4-12(11-16(15)28(25,26)21-6-8-27-9-7-21)17(22)20-14-3-1-2-13(10-14)18(23)24/h1-5,10-11H,6-9H2,(H,20,22)(H,23,24)/p-1