N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantylsulfamoyl)phenyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S/c1-25-12-18(26(28)29)19(23-25)20(27)22-16-2-4-17(5-3-16)32(30,31)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15,24H,6-11H2,1H3,(H,22,27)