7-methylsulfonyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide

Systemtic Name: 7-methylsulfonyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide Openeye Name: 7-methylsulfonyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide CAS Name: 7-methylsulfonyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide IUPAC Name: 7-methylsulfonyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide Traditional Name: 7-mesyl-2-(2-octoxyphenyl)sulfonyl-1$l^{4},2,3,4-benzothiatriazine 1-oxide Formula: C21H27N3O6S3 MolecularWeight: 513.65058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1S(=O)(=O)N2N=NC3=C(S2=O)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1S(=O)(=O)N2N=NC3=C(S2=O)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O6S3/c1-3-4-5-6-7-10-15-30-19-11-8-9-12-21(19)33(28,29)24-23-22-18-14-13-17(32(2,26)27)16-20(18)31(24)25/h8-9,11-14,16H,3-7,10,15H2,1-2H3