2-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[(2-bromanyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 2-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 2-[[[2-bromo-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 2-[(2-bromo-5-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H17BrN2O6S MolecularWeight: 469.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=CC=CC=C3C(=O)O

InChI

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