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

Systemtic Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenyl-phenyl]sulfonylhexyl prop-2-enoate Openeye Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenylazo-phenyl]sulfonylhexyl prop-2-enoate CAS Name: 2-propenoic acid 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenylphenyl]sulfonylhexyl ester IUPAC Name: 6-[3-[methyl(2-methylbutyl)amino]-4-phenyldiazenylphenyl]sulfonylhexyl prop-2-enoate Traditional Name: acrylic acid 6-[3-[methyl(2-methylbutyl)amino]-4-phenylazo-phenyl]sulfonylhexyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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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)N=NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4S/c1-5-22(3)21-30(4)26-20-24(16-17-25(26)29-28-23-14-10-9-11-15-23)35(32,33)19-13-8-7-12-18-34-27(31)6-2/h6,9-11,14-17,20,22H,2,5,7-8,12-13,18-19,21H2,1,3-4H3