tert-butyl 4-(3-pyridin-4-ylpropylsulfinyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-pyridin-4-ylpropylsulfinyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pyridyl)propylsulfinyl]piperidine-1-carboxylate CAS Name: 4-(3-pyridin-4-ylpropylsulfinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-pyridin-4-ylpropylsulfinyl)piperidine-1-carboxylate Traditional Name: 4-[3-(4-pyridyl)propylsulfinyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)S(=O)CCCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)S(=O)CCCC2=CC=NC=C2

InChI

InChI=1S/C18H28N2O3S/c1-18(2,3)23-17(21)20-12-8-16(9-13-20)24(22)14-4-5-15-6-10-19-11-7-15/h6-7,10-11,16H,4-5,8-9,12-14H2,1-3H3