1-(1-adamantyl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(5-esyl-2-hydroxy-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O6S/c1-2-33(31,32)16-3-4-19(27)17(8-16)23-21(28)20-18(26(29)30)12-25(24-20)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,12-15,27H,2,5-7,9-11H2,1H3,(H,23,28)