dimethyl-[2-[[4-[(2-methylphenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[4-[(2-methylphenyl)methylamino]-3-nitro-phenyl]sulfonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[3-nitro-4-(o-tolylmethylamino)phenyl]sulfonylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[4-[(2-methylphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[4-[(2-methylphenyl)methylamino]-3-nitrophenyl]sulfonylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[4-[(2-methylbenzyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl]ammonium Formula: C18H25N4O4S+ MolecularWeight: 393.4805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S/c1-14-6-4-5-7-15(14)13-19-17-9-8-16(12-18(17)22(23)24)27(25,26)20-10-11-21(2)3/h4-9,12,19-20H,10-11,13H2,1-3H3/p+1