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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COCCN(CC(=O)NCCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O4S/c1-29-15-14-25(17-22(26)24-13-10-18-6-3-2-4-7-18)30(27,28)21-9-5-8-19-16-23-12-11-20(19)21/h2-9,11-12,16H,10,13-15,17H2,1H3,(H,24,26)