(6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl-(phenylsulfonyl)carbamic acid

Systemtic Name: (6-bromanyl-1-oxidanylidene-4-phenyl-3-propanoyl-isoquinolin-2-yl)methyl-(phenylsulfonyl)carbamic acid Openeye Name: benzenesulfonyl-[(6-bromo-1-oxo-4-phenyl-3-propanoyl-2-isoquinolyl)methyl]carbamic acid CAS Name: benzenesulfonyl-[[6-bromo-1-oxo-3-(1-oxopropyl)-4-phenyl-2-isoquinolinyl]methyl]carbamic acid IUPAC Name: benzenesulfonyl-[(6-bromo-1-oxo-4-phenyl-3-propanoylisoquinolin-2-yl)methyl]carbamic acid Traditional Name: besyl-[(6-bromo-1-keto-4-phenyl-3-propionyl-2-isoquinolyl)methyl]carbamic acid Formula: C26H21BrN2O6S MolecularWeight: 569.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CN(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CN(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H21BrN2O6S/c1-2-22(30)24-23(17-9-5-3-6-10-17)21-15-18(27)13-14-20(21)25(31)28(24)16-29(26(32)33)36(34,35)19-11-7-4-8-12-19/h3-15H,2,16H2,1H3,(H,32,33)