ethyl (E)-3-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]but-2-enoate Openeye Name: ethyl (E)-3-[prop-2-ynyl(p-tolylsulfonyl)amino]but-2-enoate CAS Name: (E)-3-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]but-2-enoate Traditional Name: (E)-3-[propargyl(tosyl)amino]but-2-enoic acid ethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N(CC#C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/N(CC#C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H19NO4S/c1-5-11-17(14(4)12-16(18)21-6-2)22(19,20)15-9-7-13(3)8-10-15/h1,7-10,12H,6,11H2,2-4H3/b14-12+