[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl] (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O6S/c1-16(2)21(3,15-22)23-19(25)14-30-20(26)9-6-17-4-7-18(8-5-17)31(27,28)24-10-12-29-13-11-24/h4-9,16H,10-14H2,1-3H3,(H,23,25)/b9-6+