N-(3,3-dioctyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-(3,3-dioctyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-(3,3-dioctyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-(3,3-dioctyl-2-oxetanyl)-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-(3,3-dioctyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-(3,3-dioctyloxetan-2-yl)-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C27H44N2O3S2 MolecularWeight: 508.77986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N2O3S2/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/h16-17,20,26,29H,4-15,18-19,21H2,1-3H3