methyl 3-[4-[[4-(4-oxidanylpiperidin-1-yl)phenyl]diazenyl]phenyl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-[[4-(4-oxidanylpiperidin-1-yl)phenyl]diazenyl]phenyl]sulfonylpropanoate Openeye Name: methyl 3-[4-[4-(4-hydroxy-1-piperidyl)phenyl]azophenyl]sulfonylpropanoate CAS Name: 3-[4-[4-(4-hydroxy-1-piperidinyl)phenyl]azophenyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[[4-(4-hydroxypiperidin-1-yl)phenyl]diazenyl]phenyl]sulfonylpropanoate Traditional Name: 3-[4-[4-(4-hydroxypiperidino)phenyl]azophenyl]sulfonylpropionic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3CCC(CC3)O

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3CCC(CC3)O

InChI

InChI=1S/C21H25N3O5S/c1-29-21(26)12-15-30(27,28)20-8-4-17(5-9-20)23-22-16-2-6-18(7-3-16)24-13-10-19(25)11-14-24/h2-9,19,25H,10-15H2,1H3