methyl 2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-(cyclohexylamino)-2-oxo-ethyl]-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]acetate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]-(4-methoxy-3-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-(4-methoxy-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C18H25N3O8S MolecularWeight: 443.4714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCC2)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCCCC2)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O8S/c1-28-16-9-8-14(10-15(16)21(24)25)30(26,27)20(12-18(23)29-2)11-17(22)19-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3,(H,19,22)