4-[[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]diazenyl]benzenesulfonate

Systemtic Name: 4-[[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]diazenyl]benzenesulfonate Openeye Name: 4-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-phenyl]azobenzenesulfonate CAS Name: 4-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]azobenzenesulfonate IUPAC Name: 4-[[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]diazenyl]benzenesulfonate Traditional Name: 4-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-phenyl]azobesylate Formula: C18H23N4O5S2- MolecularWeight: 439.52902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C

Isomeric SMILES

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C18H24N4O5S2/c1-4-22(12-11-19-28(3,23)24)16-7-10-18(14(2)13-16)21-20-15-5-8-17(9-6-15)29(25,26)27/h5-10,13,19H,4,11-12H2,1-3H3,(H,25,26,27)/p-1