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

Systemtic Name: ethyl 2-[methyl-[5-(6-oxidanylhexylsulfonyl)-2-phenyldiazenyl-phenyl]amino]ethanoate Openeye Name: ethyl 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenylazo-anilino]acetate CAS Name: 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenyldiazenylanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenyldiazenylanilino]acetate Traditional Name: 2-[5-(6-hydroxyhexylsulfonyl)-N-methyl-2-phenylazo-anilino]acetic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-3-31-23(28)18-26(2)22-17-20(32(29,30)16-10-5-4-9-15-27)13-14-21(22)25-24-19-11-7-6-8-12-19/h6-8,11-14,17,27H,3-5,9-10,15-16,18H2,1-2H3