[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C#CCNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H20N2O6S/c1-2-9-19-17(21)14-26-18(22)8-5-15-3-6-16(7-4-15)27(23,24)20-10-12-25-13-11-20/h1,3-8H,9-14H2,(H,19,21)/b8-5+