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

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[5-isoquinolylsulfonyl(methyl)amino]-N-(4-nitrophenyl)acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(methyl)amino]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[isoquinolin-5-ylsulfonyl(methyl)amino]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[5-isoquinolylsulfonyl(methyl)amino]-N-(4-nitrophenyl)acetamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O5S/c1-21(12-18(23)20-14-5-7-15(8-6-14)22(24)25)28(26,27)17-4-2-3-13-11-19-10-9-16(13)17/h2-11H,12H2,1H3,(H,20,23)