methyl 2-[methyl-[5-(6-oxidanylhexylsulfonyl)-2-phenyldiazenyl-phenyl]amino]ethanoate

Systemtic Name: methyl 2-[methyl-[5-(6-oxidanylhexylsulfonyl)-2-phenyldiazenyl-phenyl]amino]ethanoate Openeye Name: methyl 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenylazo-anilino]acetate CAS Name: 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenyldiazenylanilino]acetic acid methyl ester IUPAC Name: methyl 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenyldiazenylanilino]acetate Traditional Name: 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenylazo-anilino]acetic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-25(17-22(27)30-2)21-16-19(31(28,29)15-9-4-3-8-14-26)12-13-20(21)24-23-18-10-6-5-7-11-18/h5-7,10-13,16,26H,3-4,8-9,14-15,17H2,1-2H3