2-[[4-[(4-azanyl-3-methoxy-phenyl)diazenyl]phenyl]sulfonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[4-[(4-azanyl-3-methoxy-phenyl)diazenyl]phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[[4-(4-amino-3-methoxy-phenyl)azophenyl]sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[[4-(4-amino-3-methoxyphenyl)azophenyl]sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[[4-[(4-amino-3-methoxyphenyl)diazenyl]phenyl]sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[[4-(4-amino-3-methoxy-phenyl)azophenyl]sulfonyl-methyl-amino]ethanesulfonic acid Formula: C16H20N4O6S2 MolecularWeight: 428.4832

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N)OC

Isomeric SMILES

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N)OC

InChI

InChI=1S/C16H20N4O6S2/c1-20(9-10-27(21,22)23)28(24,25)14-6-3-12(4-7-14)18-19-13-5-8-15(17)16(11-13)26-2/h3-8,11H,9-10,17H2,1-2H3,(H,21,22,23)