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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(methyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(methyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(methyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C20H18N4O3S2/c1-13-6-7-16-17(10-13)28-20(22-16)23-19(25)12-24(2)29(26,27)18-5-3-4-14-11-21-9-8-15(14)18/h3-11H,12H2,1-2H3,(H,22,23,25)