3-[[[4-(1,3-benzothiazol-2-yldiazenyl)-3-methyl-phenyl]-ethyl-amino]methyl]benzenesulfonic acid

Systemtic Name: 3-[[[4-(1,3-benzothiazol-2-yldiazenyl)-3-methyl-phenyl]-ethyl-amino]methyl]benzenesulfonic acid Openeye Name: 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methyl-anilino]methyl]benzenesulfonic acid CAS Name: 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methylanilino]methyl]benzenesulfonic acid IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]methyl]benzenesulfonic acid Traditional Name: 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methyl-anilino]methyl]besylic acid Formula: C23H22N4O3S2 MolecularWeight: 466.57578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H22N4O3S2/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23/h4-14H,3,15H2,1-2H3,(H,28,29,30)