2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C26H22N4O4S2 MolecularWeight: 518.60728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H22N4O4S2/c1-17-6-11-22-23(14-17)35-26(28-22)29-25(31)16-30(19-7-9-20(34-2)10-8-19)36(32,33)24-5-3-4-18-15-27-13-12-21(18)24/h3-15H,16H2,1-2H3,(H,28,29,31)