[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C24H29N3O10S MolecularWeight: 551.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O10S/c1-4-35-20-14-18(26-8-10-34-11-9-26)21(36-5-2)13-17(20)25-23(28)15-37-24(29)16-6-7-22(38(3,32)33)19(12-16)27(30)31/h6-7,12-14H,4-5,8-11,15H2,1-3H3,(H,25,28)