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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S2/c1-29-12-11-25(14-20(26)24-21-23-17-6-2-3-7-18(17)30-21)31(27,28)19-8-4-5-15-13-22-10-9-16(15)19/h2-10,13H,11-12,14H2,1H3,(H,23,24,26)