5-bromanyl-2-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoyl]amino]benzoic acid Formula: C25H21BrN2O5S MolecularWeight: 541.41364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C25H21BrN2O5S/c26-20-8-11-23(22(16-20)25(30)31)27-24(29)19-6-9-21(10-7-19)34(32,33)28-14-12-18(13-15-28)17-4-2-1-3-5-17/h1-12,16H,13-15H2,(H,27,29)(H,30,31)