1-(1-adamantyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-morpholinosulfonylphenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-morpholinosulfonylphenyl)-4-nitro-pyrazole-3-carboxamide Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H29N5O6S/c30-23(25-19-1-3-20(4-2-19)36(33,34)27-5-7-35-8-6-27)22-21(29(31)32)15-28(26-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,15-18H,5-14H2,(H,25,30)