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

Systemtic Name: [1-[4-[[4-(2-methylbutylsulfonyl)phenyl]diazenyl]phenyl]piperidin-4-yl] prop-2-enoate Openeye Name: [1-[4-[4-(2-methylbutylsulfonyl)phenyl]azophenyl]-4-piperidyl] prop-2-enoate CAS Name: 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] prop-2-enoate Traditional Name: acrylic acid [1-[4-[4-(2-methylbutylsulfonyl)phenyl]azophenyl]-4-piperidyl] ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-4-19(3)18-33(30,31)24-12-8-21(9-13-24)27-26-20-6-10-22(11-7-20)28-16-14-23(15-17-28)32-25(29)5-2/h5-13,19,23H,2,4,14-18H2,1,3H3