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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H28N2O6S/c1-4-20(2,3)21-18(23)15-28-19(24)10-7-16-5-8-17(9-6-16)29(25,26)22-11-13-27-14-12-22/h5-10H,4,11-15H2,1-3H3,(H,21,23)/b10-7+