5-chloranyl-2-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-esyl-N-(6-mesyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C15H13ClN4O5S3 MolecularWeight: 460.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H13ClN4O5S3/c1-3-28(24,25)15-17-7-9(16)12(19-15)13(21)20-14-18-10-5-4-8(27(2,22)23)6-11(10)26-14/h4-7H,3H2,1-2H3,(H,18,20,21)