methyl 4-[3-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-(1-adamantylthio)phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-(1-adamantylsulfanyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-adamantylthio)phenyl]piperazine-1-carboxylic acid methyl ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=CC(=CC=C2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=CC(=CC=C2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S/c1-26-21(25)24-7-5-23(6-8-24)19-3-2-4-20(12-19)27-22-13-16-9-17(14-22)11-18(10-16)15-22/h2-4,12,16-18H,5-11,13-15H2,1H3