N-[6-chloranyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: N-[6-chloro-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: N-[6-chloro-5-(3,4-dimethoxyphenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: N-[6-chloro-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: N-[6-chloro-5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]benzenesulfonamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S/c1-25-14-9-8-12(10-15(14)26-2)16-17(19)20-11-21-18(16)22-27(23,24)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22)