2-piperidin-1-ylethyl 4-butylsulfanylbenzoate

Systemtic Name: 2-piperidin-1-ylethyl 4-butylsulfanylbenzoate Openeye Name: 2-(1-piperidyl)ethyl 4-butylsulfanylbenzoate CAS Name: 4-(butylthio)benzoic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: 2-piperidin-1-ylethyl 4-butylsulfanylbenzoate Traditional Name: 4-(butylthio)benzoic acid 2-piperidinoethyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(=O)OCCN2CCCCC2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C(=O)OCCN2CCCCC2

InChI

InChI=1S/C18H27NO2S/c1-2-3-15-22-17-9-7-16(8-10-17)18(20)21-14-13-19-11-5-4-6-12-19/h7-10H,2-6,11-15H2,1H3