N,N-dimethyl-4-(4-methyl-3-oxidanyl-3-pyrimidin-5-yl-pent-1-ynyl)benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-(4-methyl-3-oxidanyl-3-pyrimidin-5-yl-pent-1-ynyl)benzenesulfonamide Openeye Name: 4-(3-hydroxy-4-methyl-3-pyrimidin-5-yl-pent-1-ynyl)-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[3-hydroxy-4-methyl-3-(5-pyrimidinyl)pent-1-ynyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-(3-hydroxy-4-methyl-3-pyrimidin-5-ylpent-1-ynyl)-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[3-hydroxy-4-methyl-3-(5-pyrimidyl)pent-1-ynyl]-N,N-dimethyl-benzenesulfonamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC1=CC=C(C=C1)S(=O)(=O)N(C)C)(C2=CN=CN=C2)O

Isomeric SMILES

CC(C)C(C#CC1=CC=C(C=C1)S(=O)(=O)N(C)C)(C2=CN=CN=C2)O

InChI

InChI=1S/C18H21N3O3S/c1-14(2)18(22,16-11-19-13-20-12-16)10-9-15-5-7-17(8-6-15)25(23,24)21(3)4/h5-8,11-14,22H,1-4H3