N-(1,3-benzodioxol-5-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COCCN(CC(=O)NC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3O6S/c1-28-10-9-24(13-21(25)23-16-5-6-18-19(11-16)30-14-29-18)31(26,27)20-4-2-3-15-12-22-8-7-17(15)20/h2-8,11-12H,9-10,13-14H2,1H3,(H,23,25)