[3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: [3-(methanesulfonamido)-5-[oxo(1-piperidinyl)methyl]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: benzyl-[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)benzyl]ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-28(26,27)23-20-13-18(16-22-15-17-8-4-2-5-9-17)12-19(14-20)21(25)24-10-6-3-7-11-24/h2,4-5,8-9,12-14,22-23H,3,6-7,10-11,15-16H2,1H3/p+1