N-(3-hexyl-3-octyl-oxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-(3-hexyl-3-octyl-oxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(3-hexyl-3-octyl-oxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-(3-hexyl-3-octyl-2-oxetanyl)-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(3-hexyl-3-octyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(3-hexyl-3-octyl-oxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C25H40N2O3S2 MolecularWeight: 480.7267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(COC1NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)CCCCCC

Isomeric SMILES

CCCCCCCCC1(COC1NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)CCCCCC

InChI

InChI=1S/C25H40N2O3S2/c1-4-6-8-10-11-13-17-25(16-12-9-7-5-2)19-30-24(25)27-32(28,29)21-14-15-22-23(18-21)31-20(3)26-22/h14-15,18,24,27H,4-13,16-17,19H2,1-3H3