3-[[2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoyl]sulfamoyl]benzamide

Systemtic Name: 3-[[2-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoyl]sulfamoyl]benzamide Openeye Name: 3-[[2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetyl]sulfamoyl]benzamide CAS Name: 3-[[2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(6-isoquinolinylamino)-1-oxoethyl]sulfamoyl]benzamide IUPAC Name: 3-[[2-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(isoquinolin-6-ylamino)acetyl]sulfamoyl]benzamide Traditional Name: 3-[[2-(3-ethoxy-4-isopropoxy-phenyl)-2-(6-isoquinolylamino)acetyl]sulfamoyl]benzamide Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O6S/c1-4-38-26-16-20(9-11-25(26)39-18(2)3)27(32-23-10-8-22-17-31-13-12-19(22)14-23)29(35)33-40(36,37)24-7-5-6-21(15-24)28(30)34/h5-18,27,32H,4H2,1-3H3,(H2,30,34)(H,33,35)