[(3E)-2-methylideneocta-3,7-dienyl] 2-[but-3-enyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[but-3-enyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [(3E)-2-methyleneocta-3,7-dienyl] 2-[but-3-enyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[but-3-enyl-(4-methylphenyl)sulfonylamino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester IUPAC Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[but-3-enyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[but-3-enyl(tosyl)amino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=C)CC(=O)OCC(=C)C=CCCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=C)CC(=O)OCC(=C)/C=C/CCC=C

InChI

InChI=1S/C22H29NO4S/c1-5-7-9-10-11-20(4)18-27-22(24)17-23(16-8-6-2)28(25,26)21-14-12-19(3)13-15-21/h5-6,10-15H,1-2,4,7-9,16-18H2,3H3/b11-10+