[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: 3-methyl-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: 3-methyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H27N5O8S MolecularWeight: 497.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCCC#N)NC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O8S/c1-14(2)19(20(27)33-13-18(26)22-7-3-6-21)23-16-5-4-15(12-17(16)25(28)29)34(30,31)24-8-10-32-11-9-24/h4-5,12,14,19,23H,3,7-11,13H2,1-2H3,(H,22,26)