(2-chloranyl-6-fluoranyl-phenyl)methyl-[[3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[[3-(methylsulfonylamino)-5-piperidin-1-ylcarbonyl-phenyl]methyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[[3-(methanesulfonamido)-5-[oxo(1-piperidinyl)methyl]phenyl]methyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)phenyl]methyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[3-(methanesulfonamido)-5-(piperidine-1-carbonyl)benzyl]ammonium Formula: C21H26ClFN3O3S+ MolecularWeight: 454.965843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC=C2Cl)F)C(=O)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC=C2Cl)F)C(=O)N3CCCCC3

InChI

InChI=1S/C21H25ClFN3O3S/c1-30(28,29)25-17-11-15(13-24-14-18-19(22)6-5-7-20(18)23)10-16(12-17)21(27)26-8-3-2-4-9-26/h5-7,10-12,24-25H,2-4,8-9,13-14H2,1H3/p+1