methyl 6-[3-[methyl(2-oxidanylhexyl)amino]-4-phenyldiazenyl-phenyl]sulfonylhexanoate

Systemtic Name: methyl 6-[3-[methyl(2-oxidanylhexyl)amino]-4-phenyldiazenyl-phenyl]sulfonylhexanoate Openeye Name: methyl 6-[3-[2-hydroxyhexyl(methyl)amino]-4-phenylazo-phenyl]sulfonylhexanoate CAS Name: 6-[3-[2-hydroxyhexyl(methyl)amino]-4-phenyldiazenylphenyl]sulfonylhexanoic acid methyl ester IUPAC Name: methyl 6-[3-[2-hydroxyhexyl(methyl)amino]-4-phenyldiazenylphenyl]sulfonylhexanoate Traditional Name: 6-[3-[2-hydroxyhexyl(methyl)amino]-4-phenylazo-phenyl]sulfonylhexanoic acid methyl ester Formula: C26H37N3O5S MolecularWeight: 503.65408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O5S/c1-4-5-14-22(30)20-29(2)25-19-23(35(32,33)18-11-7-10-15-26(31)34-3)16-17-24(25)28-27-21-12-8-6-9-13-21/h6,8-9,12-13,16-17,19,22,30H,4-5,7,10-11,14-15,18,20H2,1-3H3