2-bromanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)hexanamide

Systemtic Name: 2-bromanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)hexanamide Openeye Name: 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)hexanamide CAS Name: 2-bromo-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]hexanamide IUPAC Name: 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)hexanamide Traditional Name: 2-bromo-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)hexanamide Formula: C17H22BrN3O3S2 MolecularWeight: 460.40888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CCCCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C17H22BrN3O3S2/c1-2-3-6-13(18)16(22)20-17-19-14-8-7-12(11-15(14)25-17)26(23,24)21-9-4-5-10-21/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,20,22)