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

Systemtic Name: [4-[[[1-(4-ethanoylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[1-(4-acetylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[1-(4-acetylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[1-(4-acetylphenyl)sulfonylisonipecotoyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C26H36N3O4S+ MolecularWeight: 486.64674

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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=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-4-28(5-2)19-22-8-6-21(7-9-22)18-27-26(31)24-14-16-29(17-15-24)34(32,33)25-12-10-23(11-13-25)20(3)30/h6-13,24H,4-5,14-19H2,1-3H3,(H,27,31)/p+1