[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC#C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC#C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H24N2O6S/c1-3-11-21-19(23)15-28-20(24)10-8-16-7-9-17(27-2)18(14-16)29(25,26)22-12-5-4-6-13-22/h1,7-10,14H,4-6,11-13,15H2,2H3,(H,21,23)/b10-8+