N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C28H34N4O2S MolecularWeight: 490.66016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CS(=O)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CS(=O)CC4=C(N(N=C4)C5=CC=CC=C5)N6C=CC=C6

InChI

InChI=1S/C28H34N4O2S/c1-20(28-14-21-11-22(15-28)13-23(12-21)16-28)30-26(33)19-35(34)18-24-17-29-32(25-7-3-2-4-8-25)27(24)31-9-5-6-10-31/h2-10,17,20-23H,11-16,18-19H2,1H3,(H,30,33)