[(4E)-3-methylidenenona-4,8-dienyl] 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]ethanoate

Systemtic Name: [(4E)-3-methylidenenona-4,8-dienyl] 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]ethanoate Openeye Name: [(4E)-3-methylenenona-4,8-dienyl] 2-[allyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetic acid [(4E)-3-methylenenona-4,8-dienyl] ester IUPAC Name: [(4E)-3-methylidenenona-4,8-dienyl] 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetate Traditional Name: 2-[allyl(tosyl)amino]acetic acid [(4E)-3-methylenenona-4,8-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(CC=C)CC(=O)OCCC(=C)C=CCCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4S/c1-5-7-8-9-10-19(3)15-17-27-22(24)18-23(16-6-2)28(25,26)21-13-11-20(4)12-14-21/h5-6,9-14H,1-3,7-8,15-18H2,4H3/b10-9+