[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C28H32N4O3S2 MolecularWeight: 536.70868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)S(=O)(=O)C7=CC=CS7

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)S(=O)(=O)C7=CC=CS7

InChI

InChI=1S/C28H32N4O3S2/c33-27(30-8-10-31(11-9-30)37(34,35)25-7-4-12-36-25)24-19-32(23-5-2-1-3-6-23)29-26(24)28-16-20-13-21(17-28)15-22(14-20)18-28/h1-7,12,19-22H,8-11,13-18H2