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

Systemtic Name: 2-[[4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 2-[[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]propanoic acid CAS Name: 2-[[4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 2-[[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]propanoic acid Traditional Name: 2-[[4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)phenyl]sulfonylamino]propionic acid Formula: C27H23BrN2O6S MolecularWeight: 583.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC3=C(C=C(C=C3)Br)C(=C2C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC3=C(C=C(C=C3)Br)C(=C2C(=O)C)C4=CC=CC=C4

InChI

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