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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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