2-bromanyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-bromanyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-bromo-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-bromo-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: 2-bromo-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-bromo-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)butyramide Formula: C15H18BrN3O4S2 MolecularWeight: 448.35512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3)Br

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C15H18BrN3O4S2/c1-2-11(16)14(20)18-15-17-12-4-3-10(9-13(12)24-15)25(21,22)19-5-7-23-8-6-19/h3-4,9,11H,2,5-8H2,1H3,(H,17,18,20)