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

Systemtic Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[(4-methylphenyl)sulfonyl-pent-4-enyl-amino]ethanoate Openeye Name: [(3E)-2-methyleneocta-3,7-dienyl] 2-[pent-4-enyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-pent-4-enylamino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester IUPAC Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[(4-methylphenyl)sulfonyl-pent-4-enylamino]acetate Traditional Name: 2-[pent-4-enyl(tosyl)amino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-5-7-9-10-12-21(4)19-28-23(25)18-24(17-11-8-6-2)29(26,27)22-15-13-20(3)14-16-22/h5-6,10,12-16H,1-2,4,7-9,11,17-19H2,3H3/b12-10+