4-bromanyl-N-[(4-methylsulfonylphenyl)methyl]-N-(2-oxidanylpentyl)-2-(phenylcarbonyl)benzamide

Systemtic Name: 4-bromanyl-N-[(4-methylsulfonylphenyl)methyl]-N-(2-oxidanylpentyl)-2-(phenylcarbonyl)benzamide Openeye Name: 2-benzoyl-4-bromo-N-(2-hydroxypentyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide CAS Name: 2-benzoyl-4-bromo-N-(2-hydroxypentyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide IUPAC Name: 2-benzoyl-4-bromo-N-(2-hydroxypentyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide Traditional Name: 2-benzoyl-4-bromo-N-(2-hydroxypentyl)-N-(4-mesylbenzyl)benzamide Formula: C27H28BrNO5S MolecularWeight: 558.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN(CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCCC(CN(CC1=CC=C(C=C1)S(=O)(=O)C)C(=O)C2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C27H28BrNO5S/c1-3-7-22(30)18-29(17-19-10-13-23(14-11-19)35(2,33)34)27(32)24-15-12-21(28)16-25(24)26(31)20-8-5-4-6-9-20/h4-6,8-16,22,30H,3,7,17-18H2,1-2H3