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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H22BrN3O3S2 MolecularWeight: 484.43028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C19H22BrN3O3S2/c1-14-5-7-17(16(20)11-14)22-18(24)13-27-19-8-6-15(12-21-19)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,22,24)