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

Systemtic Name: N-[3,3-bis(octa-1,3,5,7-tetraynyl)oxetan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[3,3-bis(octa-1,3,5,7-tetraynyl)oxetan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[3,3-bis(octa-1,3,5,7-tetraynyl)-2-oxetanyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[3,3-bis(octa-1,3,5,7-tetraynyl)oxetan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[3,3-bis(octa-1,3,5,7-tetraynyl)oxetan-2-yl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C27H12N2O3S2 MolecularWeight: 476.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3C(CO3)(C#CC#CC#CC#C)C#CC#CC#CC#C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC3C(CO3)(C#CC#CC#CC#C)C#CC#CC#CC#C

InChI

InChI=1S/C27H12N2O3S2/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/h1-2,16-17,20,26,29H,21H2,3H3