3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide Openeye Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)-N-[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]propanamide IUPAC Name: 3-(4-bromo-3-nitropyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propanamide Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]propionamide Formula: C18H18BrN7O7S MolecularWeight: 556.34722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C18H18BrN7O7S/c1-32-16-9-14(21-18(22-16)33-2)24-34(30,31)12-5-3-11(4-6-12)20-15(27)7-8-25-10-13(19)17(23-25)26(28)29/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H,21,22,24)