[(Z)-5-[but-3-ynyl-(4-methylphenyl)sulfonyl-amino]pent-3-en-2-yl] ethanoate

Systemtic Name: [(Z)-5-[but-3-ynyl-(4-methylphenyl)sulfonyl-amino]pent-3-en-2-yl] ethanoate Openeye Name: [(Z)-4-[but-3-ynyl(p-tolylsulfonyl)amino]-1-methyl-but-2-enyl] acetate CAS Name: acetic acid [(Z)-5-[but-3-ynyl-(4-methylphenyl)sulfonylamino]pent-3-en-2-yl] ester IUPAC Name: [(Z)-5-[but-3-ynyl-(4-methylphenyl)sulfonylamino]pent-3-en-2-yl] acetate Traditional Name: acetic acid [(Z)-4-[but-3-ynyl(tosyl)amino]-1-methyl-but-2-enyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC#C)C/C=C\C(C)OC(=O)C

InChI

InChI=1S/C18H23NO4S/c1-5-6-13-19(14-7-8-16(3)23-17(4)20)24(21,22)18-11-9-15(2)10-12-18/h1,7-12,16H,6,13-14H2,2-4H3/b8-7-