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

Systemtic Name: 3-(1-adamantyl)-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(5-esyl-2-hydroxy-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C28H31N3O4S/c1-2-36(34,35)22-8-9-25(32)24(13-22)29-27(33)23-17-31(21-6-4-3-5-7-21)30-26(23)28-14-18-10-19(15-28)12-20(11-18)16-28/h3-9,13,17-20,32H,2,10-12,14-16H2,1H3,(H,29,33)