N-(5-tert-butyl-2-methoxy-3-nitro-phenyl)-2-oxidanylidene-propane-1-sulfonamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-3-nitro-phenyl)-2-oxidanylidene-propane-1-sulfonamide Openeye Name: N-(5-tert-butyl-2-methoxy-3-nitro-phenyl)-2-oxo-propane-1-sulfonamide CAS Name: N-(5-tert-butyl-2-methoxy-3-nitrophenyl)-2-oxo-1-propanesulfonamide IUPAC Name: N-(5-tert-butyl-2-methoxy-3-nitrophenyl)-2-oxopropane-1-sulfonamide Traditional Name: N-(5-tert-butyl-2-methoxy-3-nitro-phenyl)-2-keto-propane-1-sulfonamide Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CS(=O)(=O)NC1=C(C(=CC(=C1)C(C)(C)C)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)CS(=O)(=O)NC1=C(C(=CC(=C1)C(C)(C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C14H20N2O6S/c1-9(17)8-23(20,21)15-11-6-10(14(2,3)4)7-12(16(18)19)13(11)22-5/h6-7,15H,8H2,1-5H3