N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrimidin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrimidin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrimidin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)-2-pyrimidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pyrimidin-2-yl]-4-methyl-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C3OCC(CO3)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=N2)C3OCC(CO3)(C)C

InChI

InChI=1S/C17H21N3O4S/c1-12-4-6-14(7-5-12)25(21,22)20-16-18-8-13(9-19-16)15-23-10-17(2,3)11-24-15/h4-9,15H,10-11H2,1-3H3,(H,18,19,20)