5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C21H17ClN4O4S2 MolecularWeight: 488.96708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O4S2/c1-2-30-14-8-9-16-17(10-14)31-20(24-16)26-19(27)18-15(22)11-23-21(25-18)32(28,29)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,24,26,27)