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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(4-methoxyphenyl)acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-13-24(15-21(25)23-17-7-9-18(28-2)10-8-17)29(26,27)20-6-4-5-16-14-22-12-11-19(16)20/h4-12,14H,3,13,15H2,1-2H3,(H,23,25)