2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(p-tolyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(p-tolyl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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