N-[6-chloranyl-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[6-chloranyl-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[6-chloro-5-[(4-isopropoxyphenyl)methyl]-2-methylsulfanyl-pyrimidin-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[6-chloro-2-(methylthio)-5-[(4-propan-2-yloxyphenyl)methyl]-4-pyrimidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[6-chloro-2-methylsulfanyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[6-chloro-5-(4-isopropoxybenzyl)-2-(methylthio)pyrimidin-4-yl]-4-methyl-benzenesulfonamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)Cl)CC3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)Cl)CC3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C22H24ClN3O3S2/c1-14(2)29-17-9-7-16(8-10-17)13-19-20(23)24-22(30-4)25-21(19)26-31(27,28)18-11-5-15(3)6-12-18/h5-12,14H,13H2,1-4H3,(H,24,25,26)