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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c1-2-10-24(13-21(25)23-16-6-7-18-19(11-16)29-14-28-18)30(26,27)20-5-3-4-15-12-22-9-8-17(15)20/h3-9,11-12H,2,10,13-14H2,1H3,(H,23,25)