diethyl-[2-[4-[[(2-methyl-3-nitro-phenyl)sulfonylamino]methyl]phenoxy]ethyl]azanium

Systemtic Name: diethyl-[2-[4-[[(2-methyl-3-nitro-phenyl)sulfonylamino]methyl]phenoxy]ethyl]azanium Openeye Name: diethyl-[2-[4-[[(2-methyl-3-nitro-phenyl)sulfonylamino]methyl]phenoxy]ethyl]ammonium CAS Name: diethyl-[2-[4-[[(2-methyl-3-nitrophenyl)sulfonylamino]methyl]phenoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-[[(2-methyl-3-nitrophenyl)sulfonylamino]methyl]phenoxy]ethyl]azanium Traditional Name: diethyl-[2-[4-[[(2-methyl-3-nitro-phenyl)sulfonylamino]methyl]phenoxy]ethyl]ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-4-22(5-2)13-14-28-18-11-9-17(10-12-18)15-21-29(26,27)20-8-6-7-19(16(20)3)23(24)25/h6-12,21H,4-5,13-15H2,1-3H3/p+1