5-[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)ethanoyl]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[(1-amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)acetyl]sulfamoyl]-2-hydroxy-benzoic acid Formula: C29H30N4O8S MolecularWeight: 594.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NS(=O)(=O)C2=CC(=C(C=C2)O)C(=O)O)NC3=CC4=C(C=C3)C(=NC=C4)N)OC(C)C

InChI

InChI=1S/C29H30N4O8S/c1-4-40-25-14-18(5-10-24(25)41-16(2)3)26(32-19-6-8-21-17(13-19)11-12-31-27(21)30)28(35)33-42(38,39)20-7-9-23(34)22(15-20)29(36)37/h5-16,26,32,34H,4H2,1-3H3,(H2,30,31)(H,33,35)(H,36,37)