cyclohexylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: cyclohexylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: cyclohexylmethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid cyclohexylmethyl ester Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6S2/c1-25-15-8-7-13(9-14(15)18(20)21)26(22,23)17-10-16(19)24-11-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10-11H2,1H3