N-[4-[(6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]phenyl]sulfonylthiophene-2-carboxamide

Systemtic Name: N-[4-[(6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl]phenyl]sulfonylthiophene-2-carboxamide Openeye Name: N-[4-[(6-bromo-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]phenyl]sulfonylthiophene-2-carboxamide CAS Name: N-[4-[[6-bromo-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]phenyl]sulfonyl-2-thiophenecarboxamide IUPAC Name: N-[4-[(6-bromo-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]phenyl]sulfonylthiophene-2-carboxamide Traditional Name: N-[4-[(6-bromo-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]phenyl]sulfonylthiophene-2-carboxamide Formula: C30H23BrN2O5S2 MolecularWeight: 635.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C30H23BrN2O5S2/c1-2-25(34)28-27(20-7-4-3-5-8-20)24-17-21(31)12-15-23(24)30(36)33(28)18-19-10-13-22(14-11-19)40(37,38)32-29(35)26-9-6-16-39-26/h3-17H,2,18H2,1H3,(H,32,35)