[2-[[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H29N4O3S+ MolecularWeight: 441.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H28N4O3S/c1-26(2)17-21-9-4-3-8-20(21)16-25-23(28)18-11-13-27(14-12-18)31(29,30)22-10-6-5-7-19(22)15-24/h3-10,18H,11-14,16-17H2,1-2H3,(H,25,28)/p+1