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

Systemtic Name: 3-[(4-bromanyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoic acid CAS Name: 3-[[[4-bromo-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-[(4-bromo-3-morpholinosulfonyl-benzoyl)amino]benzoic acid Formula: C18H17BrN2O6S MolecularWeight: 469.30638

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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)