6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[[4-(diethylsulfamoyl)phenyl]methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[[4-(diethylsulfamoyl)benzyl]amino]pyridin-1-ium-3-sulfonamide Formula: C16H23N4O4S2+ MolecularWeight: 399.50822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H22N4O4S2/c1-3-20(4-2)26(23,24)14-7-5-13(6-8-14)11-18-16-10-9-15(12-19-16)25(17,21)22/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)(H2,17,21,22)/p+1