(2R)-2-(4-bromanylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: (2R)-2-(4-bromanylpyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: (2R)-2-(4-bromo-1-pyrazolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C14H13BrN4O3S2 MolecularWeight: 429.31202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)N3C=C(C=N3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)N3C=C(C=N3)Br

InChI

InChI=1S/C14H13BrN4O3S2/c1-8(19-7-9(15)6-16-19)13(20)18-14-17-11-4-3-10(24(2,21)22)5-12(11)23-14/h3-8H,1-2H3,(H,17,18,20)/t8-/m1/s1