dimethyl-[2-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]ethyl]azanium Openeye Name: 2-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-nitro-4-[(phenylmethyl)amino]phenyl]sulfonylamino]ethyl]ammonium IUPAC Name: 2-[[4-(benzylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(benzylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C17H23N4O4S+ MolecularWeight: 379.45392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-20(2)11-10-19-26(24,25)15-8-9-16(17(12-15)21(22)23)18-13-14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3/p+1