tert-butyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-quinolin-4-ylsulfanylethanoyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(4-quinolylsulfanyl)acetyl]phenyl]piperidine-1-carboxylate CAS Name: 4-[4-[1-oxo-2-(4-quinolinylthio)ethyl]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-quinolin-4-ylsulfanylacetyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-[2-(4-quinolylthio)acetyl]phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=CC=NC4=CC=CC=C43

InChI

InChI=1S/C27H30N2O3S/c1-27(2,3)32-26(31)29-16-13-20(14-17-29)19-8-10-21(11-9-19)24(30)18-33-25-12-15-28-23-7-5-4-6-22(23)25/h4-12,15,20H,13-14,16-18H2,1-3H3