methyl 2-[[[4-(3-methoxy-3-oxidanylidene-propoxy)-1,3,5-triazin-2-yl]-methyl-carbamoyl]-methyl-sulfamoyl]-4-nitro-benzoate

Systemtic Name: methyl 2-[[[4-(3-methoxy-3-oxidanylidene-propoxy)-1,3,5-triazin-2-yl]-methyl-carbamoyl]-methyl-sulfamoyl]-4-nitro-benzoate Openeye Name: methyl 2-[[[4-(3-methoxy-3-oxo-propoxy)-1,3,5-triazin-2-yl]-methyl-carbamoyl]-methyl-sulfamoyl]-4-nitro-benzoate CAS Name: 2-[[[[4-(3-methoxy-3-oxopropoxy)-1,3,5-triazin-2-yl]-methylamino]-oxomethyl]-methylsulfamoyl]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[[4-(3-methoxy-3-oxopropoxy)-1,3,5-triazin-2-yl]-methylcarbamoyl]-methylsulfamoyl]-4-nitrobenzoate Traditional Name: 2-[[[4-(3-keto-3-methoxy-propoxy)-s-triazin-2-yl]-methyl-carbamoyl]-methyl-sulfamoyl]-4-nitro-benzoic acid methyl ester Formula: C18H20N6O10S MolecularWeight: 512.4506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(=NC=N1)OCCC(=O)OC)C(=O)N(C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C1=NC(=NC=N1)OCCC(=O)OC)C(=O)N(C)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H20N6O10S/c1-22(16-19-10-20-17(21-16)34-8-7-14(25)32-3)18(27)23(2)35(30,31)13-9-11(24(28)29)5-6-12(13)15(26)33-4/h5-6,9-10H,7-8H2,1-4H3