2-[[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]methyl]-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[[4-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[[4-[(2-acetamido-4-methyl-5-thiazolyl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]methyl]-6-bromo-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-[4-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]benzyl]-6-bromo-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H23BrN4O6S2 MolecularWeight: 667.55012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H23BrN4O6S2/c1-16-28(41-29(31-16)32-17(2)35)42(39,40)33-21-11-8-18(9-12-21)15-34-25(27(37)38)24(19-6-4-3-5-7-19)23-14-20(30)10-13-22(23)26(34)36/h3-14,33H,15H2,1-2H3,(H,37,38)(H,31,32,35)