sodium 2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate

Systemtic Name: sodium 2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Openeye Name: sodium 2-[4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonate CAS Name: sodium 2-[4-(1-phenylpropan-2-ylamino)phenyl]azo-1,3-benzothiazole-5-sulfonate IUPAC Name: sodium 2-[[4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonate Traditional Name: sodium 2-[4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonate Formula: C22H19N4NaO3S2 MolecularWeight: 474.53103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=CC=C(C=C2)N=NC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H20N4O3S2.Na/c1-15(13-16-5-3-2-4-6-16)23-17-7-9-18(10-8-17)25-26-22-24-20-14-19(31(27,28)29)11-12-21(20)30-22;/h2-12,14-15,23H,13H2,1H3,(H,27,28,29);/q;+1/p-1