N-[5-tert-butyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[5-tert-butyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide Traditional Name: 3-besyl-N-[5-tert-butyl-2-(4-keto-6-methyl-1H-pyrimidin-2-yl)pyrazol-3-yl]propionamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4S/c1-14-12-19(28)24-20(22-14)26-17(13-16(25-26)21(2,3)4)23-18(27)10-11-31(29,30)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,23,27)(H,22,24,28)