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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(o-tolyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(o-tolyl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-13-24(15-21(25)23-19-9-5-4-7-16(19)2)28(26,27)20-10-6-8-17-14-22-12-11-18(17)20/h4-12,14H,3,13,15H2,1-2H3,(H,23,25)