N-(2-tert-butylsulfanylethyl)-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-chloranyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-chloro-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-chloro-5-piperidinosulfonyl-benzamide Formula: C18H27ClN2O3S2 MolecularWeight: 419.00158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H27ClN2O3S2/c1-18(2,3)25-12-9-20-17(22)15-13-14(7-8-16(15)19)26(23,24)21-10-5-4-6-11-21/h7-8,13H,4-6,9-12H2,1-3H3,(H,20,22)