2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCCN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H22N4O3S2/c1-3-11-26(31(28,29)20-6-4-5-16-13-23-10-9-17(16)20)14-21(27)25-22-24-18-8-7-15(2)12-19(18)30-22/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,25,27)