3-[[5-(4-chloranyl-3-oxidanyl-phenyl)isoquinolin-1-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-(4-chloranyl-3-oxidanyl-phenyl)isoquinolin-1-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-(4-chloro-3-hydroxy-phenyl)-1-isoquinolyl]amino]benzenesulfonamide CAS Name: 3-[[5-(4-chloro-3-hydroxyphenyl)-1-isoquinolinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-(4-chloro-3-hydroxyphenyl)isoquinolin-1-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-(4-chloro-3-hydroxy-phenyl)-1-isoquinolyl]amino]benzenesulfonamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC3=C2C=CC=C3C4=CC(=C(C=C4)Cl)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC3=C2C=CC=C3C4=CC(=C(C=C4)Cl)O

InChI

InChI=1S/C21H16ClN3O3S/c22-19-8-7-13(11-20(19)26)16-5-2-6-18-17(16)9-10-24-21(18)25-14-3-1-4-15(12-14)29(23,27)28/h1-12,26H,(H,24,25)(H2,23,27,28)