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

Systemtic Name: N-[6-chloranyl-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[6-chloro-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[6-chloro-2-(methylthio)-5-[(4-propoxyphenyl)methyl]-4-pyrimidinyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[6-chloro-2-methylsulfanyl-5-[(4-propoxyphenyl)methyl]pyrimidin-4-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[6-chloro-2-(methylthio)-5-(4-propoxybenzyl)pyrimidin-4-yl]-4-methoxy-benzenesulfonamide Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)SC)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H24ClN3O4S2/c1-4-13-30-17-7-5-15(6-8-17)14-19-20(23)24-22(31-3)25-21(19)26-32(27,28)18-11-9-16(29-2)10-12-18/h5-12H,4,13-14H2,1-3H3,(H,24,25,26)