methyl (E)-5-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]pent-2-enoate

Systemtic Name: methyl (E)-5-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]pent-2-enoate Openeye Name: methyl (E)-5-[prop-2-ynyl(p-tolylsulfonyl)amino]pent-2-enoate CAS Name: (E)-5-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]pent-2-enoate Traditional Name: (E)-5-[propargyl(tosyl)amino]pent-2-enoic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4S/c1-4-12-17(13-6-5-7-16(18)21-3)22(19,20)15-10-8-14(2)9-11-15/h1,5,7-11H,6,12-13H2,2-3H3/b7-5+