2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C30H36N4O4S MolecularWeight: 548.69624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN(C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5)S(=O)(=O)C

InChI

InChI=1S/C30H36N4O4S/c1-20-28(29(36)34(32(20)2)26-7-5-4-6-8-26)31-27(35)19-33(39(3,37)38)25-11-9-24(10-12-25)30-16-21-13-22(17-30)15-23(14-21)18-30/h4-12,21-23H,13-19H2,1-3H3,(H,31,35)