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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[5-isoquinolinylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(methyl)amino]acetamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O3S/c1-13-6-7-15(10-17(13)20)22-19(24)12-23(2)27(25,26)18-5-3-4-14-11-21-9-8-16(14)18/h3-11H,12H2,1-2H3,(H,22,24)