2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(4-piperidinosulfonylbenzyl)acetamide Formula: C21H25BrN2O3S2 MolecularWeight: 497.4688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25BrN2O3S2/c1-16-13-18(22)7-10-20(16)28-15-21(25)23-14-17-5-8-19(9-6-17)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)