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

Systemtic Name: [4-[[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C25H33N4O3S+ MolecularWeight: 469.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C25H32N4O3S/c1-3-28(4-2)19-21-11-9-20(10-12-21)18-27-25(30)22-13-15-29(16-14-22)33(31,32)24-8-6-5-7-23(24)17-26/h5-12,22H,3-4,13-16,18-19H2,1-2H3,(H,27,30)/p+1