N-(5-bromanylpyrazin-2-yl)-N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-(4-oxidanylidenecyclohexyl)propanamide

Systemtic Name: N-(5-bromanylpyrazin-2-yl)-N-(3-chloranyl-4-methylsulfonyl-phenyl)-3-(4-oxidanylidenecyclohexyl)propanamide Openeye Name: N-(5-bromopyrazin-2-yl)-N-(3-chloro-4-methylsulfonyl-phenyl)-3-(4-oxocyclohexyl)propanamide CAS Name: N-(5-bromo-2-pyrazinyl)-N-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide IUPAC Name: N-(5-bromopyrazin-2-yl)-N-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide Traditional Name: N-(5-bromopyrazin-2-yl)-N-(3-chloro-4-mesyl-phenyl)-3-(4-ketocyclohexyl)propionamide Formula: C20H21BrClN3O4S MolecularWeight: 514.82044

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=CN=C(C=N2)Br)C(=O)CCC3CCC(=O)CC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N(C2=CN=C(C=N2)Br)C(=O)CCC3CCC(=O)CC3)Cl

InChI

InChI=1S/C20H21BrClN3O4S/c1-30(28,29)17-8-5-14(10-16(17)22)25(19-12-23-18(21)11-24-19)20(27)9-4-13-2-6-15(26)7-3-13/h5,8,10-13H,2-4,6-7,9H2,1H3