N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitro-phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitro-phenyl]sulfonyl-carbamimidate Openeye Name: N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitro-phenyl]sulfonyl-carbamimidate CAS Name: N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylcarbamimidate IUPAC Name: N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitrophenyl]sulfonylcarbamimidate Traditional Name: N'-tert-butyl-N-[2-(3-methoxyphenoxy)-5-nitro-phenyl]sulfonyl-carbamimidate Formula: C18H20N3O7S- MolecularWeight: 422.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=CC=C2)OC)[O-]

Isomeric SMILES

CC(C)(C)N=C(NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC(=CC=C2)OC)[O-]

InChI

InChI=1S/C18H21N3O7S/c1-18(2,3)19-17(22)20-29(25,26)16-10-12(21(23)24)8-9-15(16)28-14-7-5-6-13(11-14)27-4/h5-11H,1-4H3,(H2,19,20,22)/p-1