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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H19N5O4S2/c1-14-24-25-21(31-14)23-20(27)13-26(16-6-8-17(30-2)9-7-16)32(28,29)19-5-3-4-15-12-22-11-10-18(15)19/h3-12H,13H2,1-2H3,(H,23,25,27)