N-(3-chloranyl-4-methyl-phenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-3-11-25(14-21(26)24-17-8-7-15(2)19(22)12-17)29(27,28)20-6-4-5-16-13-23-10-9-18(16)20/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,26)