2-(4-cyclopropylsulfonylphenyl)-3-(3-oxidanylidenecyclopentyl)-N-pyrimidin-4-yl-propanamide

Systemtic Name: 2-(4-cyclopropylsulfonylphenyl)-3-(3-oxidanylidenecyclopentyl)-N-pyrimidin-4-yl-propanamide Openeye Name: 2-(4-cyclopropylsulfonylphenyl)-3-(3-oxocyclopentyl)-N-pyrimidin-4-yl-propanamide CAS Name: 2-(4-cyclopropylsulfonylphenyl)-3-(3-oxocyclopentyl)-N-(4-pyrimidinyl)propanamide IUPAC Name: 2-(4-cyclopropylsulfonylphenyl)-3-(3-oxocyclopentyl)-N-pyrimidin-4-ylpropanamide Traditional Name: 2-(4-cyclopropylsulfonylphenyl)-3-(3-ketocyclopentyl)-N-(4-pyrimidyl)propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(CC3CCC(=O)C3)C(=O)NC4=NC=NC=C4

Isomeric SMILES

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(CC3CCC(=O)C3)C(=O)NC4=NC=NC=C4

InChI

InChI=1S/C21H23N3O4S/c25-16-4-1-14(11-16)12-19(21(26)24-20-9-10-22-13-23-20)15-2-5-17(6-3-15)29(27,28)18-7-8-18/h2-3,5-6,9-10,13-14,18-19H,1,4,7-8,11-12H2,(H,22,23,24,26)