N-[4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(1-adamantyl)-3,5-dimethyl-1-pyrazolyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(1-adamantyl)-3,5-dimethylpyrazol-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(1-adamantyl)-3,5-dimethyl-pyrazol-1-yl]sulfonylphenyl]acetamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O3S/c1-14-22(23-11-17-8-18(12-23)10-19(9-17)13-23)15(2)26(25-14)30(28,29)21-6-4-20(5-7-21)24-16(3)27/h4-7,17-19H,8-13H2,1-3H3,(H,24,27)