[(E,2S,3R)-2,3-diacetyloxy-6-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]hex-4-enyl] ethanoate

Systemtic Name: [(E,2S,3R)-2,3-diacetyloxy-6-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]hex-4-enyl] ethanoate Openeye Name: [(E,2S,3R)-2,3-diacetoxy-6-[prop-2-ynyl(p-tolylsulfonyl)amino]hex-4-enyl] acetate CAS Name: acetic acid [(E,2S,3R)-2,3-diacetyloxy-6-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]hex-4-enyl] ester IUPAC Name: [(E,2S,3R)-2,3-diacetyloxy-6-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]hex-4-enyl] acetate Traditional Name: acetic acid [(E,2S,3R)-2,3-diacetoxy-6-[propargyl(tosyl)amino]hex-4-enyl] ester Formula: C22H27NO8S MolecularWeight: 465.51668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=CC(C(COC(=O)C)OC(=O)C)OC(=O)C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/[C@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)CC#C

InChI

InChI=1S/C22H27NO8S/c1-6-13-23(32(27,28)20-11-9-16(2)10-12-20)14-7-8-21(30-18(4)25)22(31-19(5)26)15-29-17(3)24/h1,7-12,21-22H,13-15H2,2-5H3/b8-7+/t21-,22+/m1/s1