[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-25(15-17-8-4-5-9-21(17)26-12-6-3-7-13-26)16-22(27)24-20-14-18(30(2,28)29)10-11-19(20)23/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,24,27)/p+1