5-bromanyl-2-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[(4-isoindolin-2-ylsulfonylbenzoyl)amino]benzoic acid CAS Name: 5-bromo-2-[[[4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-(1,3-dihydroisoindol-2-ylsulfonyl)benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[(4-isoindolin-2-ylsulfonylbenzoyl)amino]benzoic acid Formula: C22H17BrN2O5S MolecularWeight: 501.34978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H17BrN2O5S/c23-17-7-10-20(19(11-17)22(27)28)24-21(26)14-5-8-18(9-6-14)31(29,30)25-12-15-3-1-2-4-16(15)13-25/h1-11H,12-13H2,(H,24,26)(H,27,28)