tert-butyl 4-naphthalen-1-ylcarbonyl-2-[2-(triphenylmethyl)sulfanylethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-naphthalen-1-ylcarbonyl-2-[2-(triphenylmethyl)sulfanylethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(naphthalene-1-carbonyl)-2-(2-tritylsulfanylethyl)piperazine-1-carboxylate CAS Name: 4-[1-naphthalenyl(oxo)methyl]-2-[2-[(triphenylmethyl)thio]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(naphthalene-1-carbonyl)-2-(2-tritylsulfanylethyl)piperazine-1-carboxylate Traditional Name: 4-(1-naphthoyl)-2-[2-(tritylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C41H42N2O3S MolecularWeight: 642.84878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1CCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C41H42N2O3S/c1-40(2,3)46-39(45)43-28-27-42(38(44)37-25-15-17-31-16-13-14-24-36(31)37)30-35(43)26-29-47-41(32-18-7-4-8-19-32,33-20-9-5-10-21-33)34-22-11-6-12-23-34/h4-25,35H,26-30H2,1-3H3