[4-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-methyl-sulfamoyl]phenyl]methyl-(3-nitropyridin-4-yl)azanium

Systemtic Name: [4-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-methyl-sulfamoyl]phenyl]methyl-(3-nitropyridin-4-yl)azanium Openeye Name: [4-[(1-ethoxycarbonyl-3-methyl-butyl)-methyl-sulfamoyl]phenyl]methyl-(3-nitro-4-pyridyl)ammonium CAS Name: [4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)-methylsulfamoyl]phenyl]methyl-(3-nitro-4-pyridinyl)ammonium IUPAC Name: [4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)-methylsulfamoyl]phenyl]methyl-(3-nitropyridin-4-yl)azanium Traditional Name: [4-[(1-carbethoxy-3-methyl-butyl)-methyl-sulfamoyl]benzyl]-(3-nitro-4-pyridyl)ammonium Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)C[NH2+]C2=C(C=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)C[NH2+]C2=C(C=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6S/c1-5-31-21(26)19(12-15(2)3)24(4)32(29,30)17-8-6-16(7-9-17)13-23-18-10-11-22-14-20(18)25(27)28/h6-11,14-15,19H,5,12-13H2,1-4H3,(H,22,23)/p+1