2-[[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(6-bromanyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[6-bromo-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-(6-bromo-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(6-bromo-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]acetic acid Formula: C27H23BrN2O6S MolecularWeight: 583.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC(=O)O)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)S(=O)(=O)NCC(=O)O)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C27H23BrN2O6S/c1-2-23(31)26-25(17-6-4-3-5-7-17)22-14-20(28)11-8-19(22)16-30(26)27(34)18-9-12-21(13-10-18)37(35,36)29-15-24(32)33/h3-14,29H,2,15-16H2,1H3,(H,32,33)