N-(4-bromanyl-2-methyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H24BrN3O3S2/c1-14-12-16(21)6-8-18(14)23-20(25)15(2)28-19-9-7-17(13-22-19)29(26,27)24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,25)