[1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenyl-phenyl]piperidin-4-yl] 2-methylprop-2-enoate

Systemtic Name: [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenyl-phenyl]piperidin-4-yl] 2-methylprop-2-enoate Openeye Name: [1-[5-(2-methylbutylsulfonyl)-2-phenylazo-phenyl]-4-piperidyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenylphenyl]-4-piperidinyl] ester IUPAC Name: [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenylphenyl]piperidin-4-yl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [1-[5-(2-methylbutylsulfonyl)-2-phenylazo-phenyl]-4-piperidyl] ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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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)N3CCC(CC3)OC(=O)C(=C)C

Isomeric SMILES

CCC(C)CS(=O)(=O)C1=CC(=C(C=C1)N=NC2=CC=CC=C2)N3CCC(CC3)OC(=O)C(=C)C

InChI

InChI=1S/C26H33N3O4S/c1-5-20(4)18-34(31,32)23-11-12-24(28-27-21-9-7-6-8-10-21)25(17-23)29-15-13-22(14-16-29)33-26(30)19(2)3/h6-12,17,20,22H,2,5,13-16,18H2,1,3-4H3