N-(3,5-dimethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-16-11-17(2)13-19(12-16)24-22(26)15-25(9-10-29-3)30(27,28)21-6-4-5-18-14-23-8-7-20(18)21/h4-8,11-14H,9-10,15H2,1-3H3,(H,24,26)