[2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[cyclohexyl(ethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-[cyclohexyl(ethyl)amino]-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-[cyclohexyl(ethyl)amino]-2-keto-ethyl] ester Formula: C19H27N3O7S2 MolecularWeight: 473.56358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCN(C1CCCCC1)C(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O7S2/c1-3-21(14-7-5-4-6-8-14)18(23)13-29-19(24)12-20-31(27,28)15-9-10-17(30-2)16(11-15)22(25)26/h9-11,14,20H,3-8,12-13H2,1-2H3