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

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C21H17ClN4O5S3 MolecularWeight: 537.03148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H17ClN4O5S3/c1-12-4-3-5-13(8-12)11-34(30,31)21-23-10-15(22)18(25-21)19(27)26-20-24-16-7-6-14(33(2,28)29)9-17(16)32-20/h3-10H,11H2,1-2H3,(H,24,26,27)