2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-phenethyl-acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-phenethylacetamide IUPAC Name: 2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)-N-phenethylacetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-phenethyl-acetamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H25N3O4S/c1-33-23-12-10-22(11-13-23)29(19-26(30)28-17-14-20-6-3-2-4-7-20)34(31,32)25-9-5-8-21-18-27-16-15-24(21)25/h2-13,15-16,18H,14,17,19H2,1H3,(H,28,30)