2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyl-oxetan-2-yl)-1,3-benzothiazole-6-sulfonamide

Systemtic Name: 2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyl-oxetan-2-yl)-1,3-benzothiazole-6-sulfonamide Openeye Name: 2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyl-oxetan-2-yl)-1,3-benzothiazole-6-sulfonamide CAS Name: 2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyl-2-oxetanyl)-1,3-benzothiazole-6-sulfonamide IUPAC Name: 2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyloxetan-2-yl)-1,3-benzothiazole-6-sulfonamide Traditional Name: 2-methyl-N-(3-octa-1,3,5,7-tetraynyl-3-octyl-oxetan-2-yl)-1,3-benzothiazole-6-sulfonamide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(COC1NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C#CC#CC#CC#C

Isomeric SMILES

CCCCCCCCC1(COC1NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C#CC#CC#CC#C

InChI

InChI=1S/C27H28N2O3S2/c1-4-6-8-10-12-14-18-27(19-15-13-11-9-7-5-2)21-32-26(27)29-34(30,31)23-16-17-24-25(20-23)33-22(3)28-24/h1,16-17,20,26,29H,5,7,9,11,13,15,19,21H2,2-3H3