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

Systemtic Name: (2R)-N-(5-bromanylpyrazin-2-yl)-2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-(4-oxidanylidenecyclohexyl)propanamide Openeye Name: (2R)-N-(5-bromopyrazin-2-yl)-2-(3-chloro-4-methylsulfonyl-phenyl)-3-(4-oxocyclohexyl)propanamide CAS Name: (2R)-N-(5-bromo-2-pyrazinyl)-2-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide IUPAC Name: (2R)-N-(5-bromopyrazin-2-yl)-2-(3-chloro-4-methylsulfonylphenyl)-3-(4-oxocyclohexyl)propanamide Traditional Name: (2R)-N-(5-bromopyrazin-2-yl)-2-(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)C(CC2CCC(=O)CC2)C(=O)NC3=CN=C(C=N3)Br)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCC(=O)CC2)C(=O)NC3=CN=C(C=N3)Br)Cl

InChI

InChI=1S/C20H21BrClN3O4S/c1-30(28,29)17-7-4-13(9-16(17)22)15(8-12-2-5-14(26)6-3-12)20(27)25-19-11-23-18(21)10-24-19/h4,7,9-12,15H,2-3,5-6,8H2,1H3,(H,24,25,27)/t15-/m1/s1