N-(3-acetamidophenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide CAS Name: N-(3-acetamidophenyl)-2-[5-isoquinolinylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H20N4O4S/c1-14(25)22-16-6-4-7-17(11-16)23-20(26)13-24(2)29(27,28)19-8-3-5-15-12-21-10-9-18(15)19/h3-12H,13H2,1-2H3,(H,22,25)(H,23,26)