2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-thiazol-2-yl-acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-(2-thiazolyl)acetamide IUPAC Name: 2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-thiazol-2-yl-acetamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=NC=CS2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H18N4O4S2/c1-29-17-7-5-16(6-8-17)25(14-20(26)24-21-23-11-12-30-21)31(27,28)19-4-2-3-15-13-22-10-9-18(15)19/h2-13H,14H2,1H3,(H,23,24,26)