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

Systemtic Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]ethanoate Openeye Name: [(3E)-2-methyleneocta-3,7-dienyl] 2-[allyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester IUPAC Name: [(3E)-2-methylideneocta-3,7-dienyl] 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate Traditional Name: 2-[allyl(tosyl)amino]acetic acid [(3E)-2-methyleneocta-3,7-dienyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4S/c1-5-7-8-9-10-19(4)17-26-21(23)16-22(15-6-2)27(24,25)20-13-11-18(3)12-14-20/h5-6,9-14H,1-2,4,7-8,15-17H2,3H3/b10-9+