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

Systemtic Name: [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenyl-phenyl]piperidin-4-yl] prop-2-enoate Openeye Name: [1-[5-(2-methylbutylsulfonyl)-2-phenylazo-phenyl]-4-piperidyl] prop-2-enoate CAS Name: 2-propenoic acid [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenylphenyl]-4-piperidinyl] ester IUPAC Name: [1-[5-(2-methylbutylsulfonyl)-2-phenyldiazenylphenyl]piperidin-4-yl] prop-2-enoate Traditional Name: acrylic acid [1-[5-(2-methylbutylsulfonyl)-2-phenylazo-phenyl]-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=CC=C2)N3CCC(CC3)OC(=O)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

InChI

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