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

Systemtic Name: 3-(1-adamantyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C30H34N4O4S/c35-29(31-24-6-8-26(9-7-24)39(36,37)33-10-12-38-13-11-33)27-20-34(25-4-2-1-3-5-25)32-28(27)30-17-21-14-22(18-30)16-23(15-21)19-30/h1-9,20-23H,10-19H2,(H,31,35)