[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O8S/c1-4-14-7-5-6-8-16(14)22-19(25)12-23(2)20(26)13-32-21(27)15-9-10-18(33(3,30)31)17(11-15)24(28)29/h5-11H,4,12-13H2,1-3H3,(H,22,25)