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

Systemtic Name: sodium 3-[[[4-(1,3-benzothiazol-2-yldiazenyl)-3-methyl-phenyl]-ethyl-amino]methyl]benzenesulfonate Openeye Name: sodium 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methyl-anilino]methyl]benzenesulfonate CAS Name: sodium 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methylanilino]methyl]benzenesulfonate IUPAC Name: sodium 3-[[4-(1,3-benzothiazol-2-yldiazenyl)-N-ethyl-3-methylanilino]methyl]benzenesulfonate Traditional Name: sodium 3-[[4-(1,3-benzothiazol-2-ylazo)-N-ethyl-3-methyl-anilino]methyl]besylate Formula: C23H21N4NaO3S2 MolecularWeight: 488.55761

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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.[Na+]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC(=C(C=C2)N=NC3=NC4=CC=CC=C4S3)C.[Na+]

InChI

InChI=1S/C23H22N4O3S2.Na/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);/q;+1/p-1