6-[methyl-[5-(2-methylbutylsulfonyl)-2-phenyldiazenyl-phenyl]amino]hexyl 2-methylprop-2-enoate

Systemtic Name: 6-[methyl-[5-(2-methylbutylsulfonyl)-2-phenyldiazenyl-phenyl]amino]hexyl 2-methylprop-2-enoate Openeye Name: 6-[N-methyl-5-(2-methylbutylsulfonyl)-2-phenylazo-anilino]hexyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 6-[N-methyl-5-(2-methylbutylsulfonyl)-2-phenyldiazenylanilino]hexyl ester IUPAC Name: 6-[N-methyl-5-(2-methylbutylsulfonyl)-2-phenyldiazenylanilino]hexyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 6-[N-methyl-5-(2-methylbutylsulfonyl)-2-phenylazo-anilino]hexyl ester Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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