N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(4,6-dimethoxy-2-pyrimidinyl)methylthio]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(4,6-dimethoxypyrimidin-2-yl)methylthio]ethyl]-4-methyl-benzenesulfonamide Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCSCC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C16H21N3O4S2/c1-12-4-6-13(7-5-12)25(20,21)17-8-9-24-11-14-18-15(22-2)10-16(19-14)23-3/h4-7,10,17H,8-9,11H2,1-3H3