4-(methylsulfanylmethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 4-(methylsulfanylmethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 4-(methylsulfanylmethyl)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 4-[(methylthio)methyl]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 4-[(methylthio)methyl]-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-27-16-18-5-9-19(10-6-18)21(24)22-15-17-7-11-20(12-8-17)28(25,26)23-13-3-2-4-14-23/h5-12H,2-4,13-16H2,1H3,(H,22,24)