N-[1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]-4-(bromomethyl)benzenesulfonamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]-4-(bromomethyl)benzenesulfonamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]-4-(bromomethyl)benzenesulfonamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-4-(bromomethyl)benzenesulfonamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylbutyl]-4-(bromomethyl)benzenesulfonamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-3-methyl-butyl]-4-(bromomethyl)benzenesulfonamide Formula: C38H42Br2N4O4S4 MolecularWeight: 906.83248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)CBr.CC(C)CC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)CBr

Isomeric SMILES

CC(C)CC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)CBr.CC(C)CC(C1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=C(C=C3)CBr

InChI

InChI=1S/2C19H21BrN2O2S2/c2*1-13(2)11-17(19-21-16-5-3-4-6-18(16)25-19)22-26(23,24)15-9-7-14(12-20)8-10-15/h2*3-10,13,17,22H,11-12H2,1-2H3