2-(3-bromanyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrimidin-4-yl-propanamide

Systemtic Name: 2-(3-bromanyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrimidin-4-yl-propanamide Openeye Name: 2-(3-bromo-4-methylsulfonyl-phenyl)-3-cyclopentyl-N-pyrimidin-4-yl-propanamide CAS Name: 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(4-pyrimidinyl)propanamide IUPAC Name: 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide Traditional Name: 2-(3-bromo-4-mesyl-phenyl)-3-cyclopentyl-N-(4-pyrimidyl)propionamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=NC=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=NC=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c1-27(25,26)17-7-6-14(11-16(17)20)15(10-13-4-2-3-5-13)19(24)23-18-8-9-21-12-22-18/h6-9,11-13,15H,2-5,10H2,1H3,(H,21,22,23,24)