2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-phenyl-amino]ethylazanium

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-phenyl-amino]ethylazanium Openeye Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]anilino]ethylammonium CAS Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]anilino]ethylammonium IUPAC Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]anilino]ethylazanium Traditional Name: 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]anilino]ethylammonium Formula: C13H19N4O2S+ MolecularWeight: 295.38056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N(CC[NH3+])C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N(CC[NH3+])C2=CC=CC=C2

InChI

InChI=1S/C13H18N4O2S/c1-10-13(11(2)16-15-10)20(18,19)17(9-8-14)12-6-4-3-5-7-12/h3-7H,8-9,14H2,1-2H3,(H,15,16)/p+1