2-[[4-[(2-chlorophenyl)methyl-ethyl-amino]-3-methyl-phenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid

Systemtic Name: 2-[[4-[(2-chlorophenyl)methyl-ethyl-amino]-3-methyl-phenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid Openeye Name: 2-[4-[(2-chlorophenyl)methyl-ethyl-amino]-3-methyl-phenyl]azo-1,3-benzothiazole-6-sulfonic acid CAS Name: 2-[4-[(2-chlorophenyl)methyl-ethylamino]-3-methylphenyl]azo-1,3-benzothiazole-6-sulfonic acid IUPAC Name: 2-[[4-[(2-chlorophenyl)methyl-ethylamino]-3-methylphenyl]diazenyl]-1,3-benzothiazole-6-sulfonic acid Traditional Name: 2-[4-[(2-chlorobenzyl)-ethyl-amino]-3-methyl-phenyl]azo-1,3-benzothiazole-6-sulfonic acid Formula: C23H21ClN4O3S2 MolecularWeight: 501.02084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1Cl)C2=C(C=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)O)C

Isomeric SMILES

CCN(CC1=CC=CC=C1Cl)C2=C(C=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)O)C

InChI

InChI=1S/C23H21ClN4O3S2/c1-3-28(14-16-6-4-5-7-19(16)24)21-11-8-17(12-15(21)2)26-27-23-25-20-10-9-18(33(29,30)31)13-22(20)32-23/h4-13H,3,14H2,1-2H3,(H,29,30,31)