3-(cyclohexylsulfanylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(1-ethylsulfonyl-4-piperidyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(1-ethylsulfonyl-4-piperidinyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(1-esyl-4-piperidyl)coumarilamide Formula: C23H32N2O4S2 MolecularWeight: 464.64118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C23H32N2O4S2/c1-2-31(27,28)25-14-12-17(13-15-25)24-23(26)22-20(16-30-18-8-4-3-5-9-18)19-10-6-7-11-21(19)29-22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3,(H,24,26)