3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[1-(2-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[1-(2-cyanophenyl)sulfonylisonipecotoyl]amino]propyl]-methyl-ammonium Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O3S/c1-27(19-20-8-3-2-4-9-20)15-7-14-26-24(29)21-12-16-28(17-13-21)32(30,31)23-11-6-5-10-22(23)18-25/h2-6,8-11,21H,7,12-17,19H2,1H3,(H,26,29)/p+1