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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-15-6-7-17(12-19(15)22)24-21(26)14-25(10-11-29-2)30(27,28)20-5-3-4-16-13-23-9-8-18(16)20/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)