2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]-N-(4-nitrophenyl)acetamide Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6S/c1-30-12-11-23(14-20(25)22-16-5-7-17(8-6-16)24(26)27)31(28,29)19-4-2-3-15-13-21-10-9-18(15)19/h2-10,13H,11-12,14H2,1H3,(H,22,25)