(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]-methyl-ammonium Formula: C22H28ClFN3O3S+ MolecularWeight: 468.992423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH+](C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H27ClFN3O3S/c1-16-9-10-17(31(29,30)27-11-4-3-5-12-27)13-21(16)25-22(28)15-26(2)14-18-19(23)7-6-8-20(18)24/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,25,28)/p+1