6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenyl-phenyl]sulfonylhexyl 2-methylprop-2-enoate

Systemtic Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenyl-phenyl]sulfonylhexyl 2-methylprop-2-enoate Openeye Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenylazo-phenyl]sulfonylhexyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenylphenyl]sulfonylhexyl ester IUPAC Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenylphenyl]sulfonylhexyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 6-[3-[methyl(2-methylbutyl)amino]-4-phenylazo-phenyl]sulfonylhexyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O4S/c1-6-23(4)21-31(5)27-20-25(16-17-26(27)30-29-24-14-10-9-11-15-24)36(33,34)19-13-8-7-12-18-35-28(32)22(2)3/h9-11,14-17,20,23H,2,6-8,12-13,18-19,21H2,1,3-5H3