2-[[(1-chloranyl-4-methylsulfonyl-isoquinolin-3-yl)amino]carbamoyl]-N,4-dimethyl-N-oxidanyl-benzamide

Systemtic Name: 2-[[(1-chloranyl-4-methylsulfonyl-isoquinolin-3-yl)amino]carbamoyl]-N,4-dimethyl-N-oxidanyl-benzamide Openeye Name: 2-[[(1-chloro-4-methylsulfonyl-3-isoquinolyl)amino]carbamoyl]-N-hydroxy-N,4-dimethyl-benzamide CAS Name: 2-[[(1-chloro-4-methylsulfonyl-3-isoquinolinyl)hydrazo]-oxomethyl]-N-hydroxy-N,4-dimethylbenzamide IUPAC Name: 2-[[(1-chloro-4-methylsulfonylisoquinolin-3-yl)amino]carbamoyl]-N-hydroxy-N,4-dimethylbenzamide Traditional Name: 2-[[(1-chloro-4-mesyl-3-isoquinolyl)amino]carbamoyl]-N-hydroxy-N,4-dimethyl-benzamide Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C)O)C(=O)NNC2=C(C3=CC=CC=C3C(=N2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C)O)C(=O)NNC2=C(C3=CC=CC=C3C(=N2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H19ClN4O5S/c1-11-8-9-14(20(27)25(2)28)15(10-11)19(26)24-23-18-16(31(3,29)30)12-6-4-5-7-13(12)17(21)22-18/h4-10,28H,1-3H3,(H,22,23)(H,24,26)