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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCN(CC(=O)NC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H20N4O3S2/c1-2-12-25(14-20(26)24-21-23-17-7-3-4-8-18(17)29-21)30(27,28)19-9-5-6-15-13-22-11-10-16(15)19/h3-11,13H,2,12,14H2,1H3,(H,23,24,26)