N-(2,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide hydrochloride

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide hydrochloride Openeye Name: N-(2,4-dimethoxyphenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide hydrochloride CAS Name: N-(2,4-dimethoxyphenyl)-2-[5-isoquinolinylsulfonyl(methyl)amino]acetamide hydrochloride IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetamide hydrochloride Traditional Name: N-(2,4-dimethoxyphenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide hydrochloride Formula: C20H22ClN3O5S MolecularWeight: 451.92378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

Isomeric SMILES

CN(CC(=O)NC1=C(C=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl

InChI

InChI=1S/C20H21N3O5S.ClH/c1-23(13-20(24)22-17-8-7-15(27-2)11-18(17)28-3)29(25,26)19-6-4-5-14-12-21-10-9-16(14)19;/h4-12H,13H2,1-3H3,(H,22,24);1H