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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22ClN3O3S/c1-2-12-25(15-21(26)24-14-17-6-3-4-8-19(17)22)29(27,28)20-9-5-7-16-13-23-11-10-18(16)20/h3-11,13H,2,12,14-15H2,1H3,(H,24,26)