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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-piperonyl-acetamide Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N3O5S/c1-2-10-25(31(27,28)21-5-3-4-17-13-23-9-8-18(17)21)14-22(26)24-12-16-6-7-19-20(11-16)30-15-29-19/h3-9,11,13H,2,10,12,14-15H2,1H3,(H,24,26)