1-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(adamantane-1-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N2O4S/c1-16(26)20-2-4-21(5-3-20)30(28,29)25-8-6-24(7-9-25)22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-15H2,1H3