dimethyl-[2-[[3-nitro-4-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[3-nitro-4-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]ethyl]azanium Openeye Name: 2-[[4-(4-isopropylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-nitro-4-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[3-nitro-4-(4-propan-2-ylphenoxy)phenyl]sulfonylamino]ethyl]azanium Traditional Name: 2-[[4-(4-isopropylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C19H26N3O5S+ MolecularWeight: 408.49184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-14(2)15-5-7-16(8-6-15)27-19-10-9-17(13-18(19)22(23)24)28(25,26)20-11-12-21(3)4/h5-10,13-14,20H,11-12H2,1-4H3/p+1