[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] (2R)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H27N3O8S/c1-15(2)20(24-21(27)18-4-3-11-32-18)22(28)33-14-19(26)23-16-5-7-17(8-6-16)34(29,30)25-9-12-31-13-10-25/h3-8,11,15,20H,9-10,12-14H2,1-2H3,(H,23,26)(H,24,27)/t20-/m1/s1