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

Systemtic Name: [1-[4-[(4-methylsulfonylphenyl)diazenyl]phenyl]piperidin-4-yl] prop-2-enoate Openeye Name: [1-[4-(4-methylsulfonylphenyl)azophenyl]-4-piperidyl] prop-2-enoate CAS Name: 2-propenoic acid [1-[4-(4-methylsulfonylphenyl)azophenyl]-4-piperidinyl] ester IUPAC Name: [1-[4-[(4-methylsulfonylphenyl)diazenyl]phenyl]piperidin-4-yl] prop-2-enoate Traditional Name: acrylic acid [1-[4-(4-mesylphenyl)azophenyl]-4-piperidyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-21(25)28-19-12-14-24(15-13-19)18-8-4-16(5-9-18)22-23-17-6-10-20(11-7-17)29(2,26)27/h3-11,19H,1,12-15H2,2H3