methyl 3-[3-[methyl(6-oxidanylhexyl)amino]-4-phenyldiazenyl-phenyl]sulfonylpropanoate

Systemtic Name: methyl 3-[3-[methyl(6-oxidanylhexyl)amino]-4-phenyldiazenyl-phenyl]sulfonylpropanoate Openeye Name: methyl 3-[3-[6-hydroxyhexyl(methyl)amino]-4-phenylazo-phenyl]sulfonylpropanoate CAS Name: 3-[3-[6-hydroxyhexyl(methyl)amino]-4-phenyldiazenylphenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[6-hydroxyhexyl(methyl)amino]-4-phenyldiazenylphenyl]sulfonylpropanoate Traditional Name: 3-[3-[6-hydroxyhexyl(methyl)amino]-4-phenylazo-phenyl]sulfonylpropionic acid methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-26(15-8-3-4-9-16-27)22-18-20(32(29,30)17-14-23(28)31-2)12-13-21(22)25-24-19-10-6-5-7-11-19/h5-7,10-13,18,27H,3-4,8-9,14-17H2,1-2H3