azanium (1Z)-4-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)sulfonyl-2-(trifluoromethyl)benzenecarboximidate

Systemtic Name: azanium (1Z)-4-chloranyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)sulfonyl-2-(trifluoromethyl)benzenecarboximidate Openeye Name: ammonium (1Z)-4-chloro-N-[(6-pyrrolidin-1-yl-3-pyridyl)sulfonyl]-2-(trifluoromethyl)benzenecarboximidate CAS Name: ammonium (1Z)-4-chloro-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]sulfonyl]-2-(trifluoromethyl)benzenecarboximidate IUPAC Name: azanium (1Z)-4-chloro-N-(6-pyrrolidin-1-ylpyridin-3-yl)sulfonyl-2-(trifluoromethyl)benzenecarboximidate Traditional Name: ammonium (1Z)-4-chloro-N-[(6-pyrrolidino-3-pyridyl)sulfonyl]-2-(trifluoromethyl)benzenecarboximidate Formula: C17H18ClF3N4O3S MolecularWeight: 450.86303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)S(=O)(=O)N=C(C3=C(C=C(C=C3)Cl)C(F)(F)F)[O-].[NH4+]

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)S(=O)(=O)/N=C(/C3=C(C=C(C=C3)Cl)C(F)(F)F)\[O-].[NH4+]

InChI

InChI=1S/C17H15ClF3N3O3S.H3N/c18-11-3-5-13(14(9-11)17(19,20)21)16(25)23-28(26,27)12-4-6-15(22-10-12)24-7-1-2-8-24;/h3-6,9-10H,1-2,7-8H2,(H,23,25);1H3