N-[6-chloranyl-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[6-chloro-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[6-chloro-5-(4-methoxyphenyl)-4-pyrimidinyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-[6-chloro-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[6-chloro-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-(methylthio)benzenesulfonamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=CN=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H16ClN3O3S2/c1-25-13-5-3-12(4-6-13)16-17(19)20-11-21-18(16)22-27(23,24)15-9-7-14(26-2)8-10-15/h3-11H,1-2H3,(H,20,21,22)