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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-phenethyl-acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-phenethylacetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-phenethylacetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-phenethyl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-2-15-25(17-22(26)24-14-11-18-7-4-3-5-8-18)29(27,28)21-10-6-9-19-16-23-13-12-20(19)21/h3-10,12-13,16H,2,11,14-15,17H2,1H3,(H,24,26)