2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-ethylsulfonylpiperidin-4-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-ethylsulfonylpiperidin-4-yl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(1-ethylsulfonyl-4-piperidyl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(1-ethylsulfonyl-4-piperidinyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-ethylsulfonylpiperidin-4-yl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(1-esyl-4-piperidyl)acetamide Formula: C17H25BrN2O3S2 MolecularWeight: 449.426

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)NC(=O)CSC2=C(C=C(C(=C2)C)Br)C

InChI

InChI=1S/C17H25BrN2O3S2/c1-4-25(22,23)20-7-5-14(6-8-20)19-17(21)11-24-16-10-12(2)15(18)9-13(16)3/h9-10,14H,4-8,11H2,1-3H3,(H,19,21)