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

Systemtic Name: 5-chloranyl-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide Formula: C20H15ClN4O3S2 MolecularWeight: 458.9411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4O3S2/c1-12-7-8-15-16(9-12)29-19(23-15)25-18(26)17-14(21)10-22-20(24-17)30(27,28)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,23,25,26)