tert-butyl (2S)-2-naphthalen-1-ylcarbonyl-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-naphthalen-1-ylcarbonyl-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(naphthalene-1-carbonyl)-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate CAS Name: (2S)-2-[1-naphthalenyl(oxo)methyl]-2-[2-(phenylthio)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(naphthalene-1-carbonyl)-2-(2-phenylsulfanylethyl)piperazine-1-carboxylate Traditional Name: (2S)-2-(1-naphthoyl)-2-[2-(phenylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNCC1(CCSC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC[C@@]1(CCSC2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H32N2O3S/c1-27(2,3)33-26(32)30-18-17-29-20-28(30,16-19-34-22-12-5-4-6-13-22)25(31)24-15-9-11-21-10-7-8-14-23(21)24/h4-15,29H,16-20H2,1-3H3/t28-/m0/s1