N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(benzylthio)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-17-10-11-19(14-20(17)28(25,26)23-12-6-3-7-13-23)22-21(24)16-27-15-18-8-4-2-5-9-18/h2,4-5,8-11,14H,3,6-7,12-13,15-16H2,1H3,(H,22,24)