N-(4-ethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-(4-ethylphenyl)-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(4-ethylphenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN(CCOC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

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