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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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