3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C16H14BrN7O5S MolecularWeight: 496.29526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrN7O5S/c17-13-10-23(21-15(13)24(26)27)9-6-14(25)20-11-2-4-12(5-3-11)30(28,29)22-16-18-7-1-8-19-16/h1-5,7-8,10H,6,9H2,(H,20,25)(H,18,19,22)