N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[4-(1-adamantylsulfamoyl)phenyl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H27N5O5S/c1-13-19(27(29)30)20(26(2)24-13)21(28)23-17-3-5-18(6-4-17)33(31,32)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,25H,7-12H2,1-2H3,(H,23,28)