2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(3-nitrophenyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(propyl)amino]-N-(3-nitrophenyl)acetamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H20N4O5S/c1-2-11-23(14-20(25)22-16-6-4-7-17(12-16)24(26)27)30(28,29)19-8-3-5-15-13-21-10-9-18(15)19/h3-10,12-13H,2,11,14H2,1H3,(H,22,25)