[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C18H22ClN2O3S+ MolecularWeight: 381.89688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-13-6-4-5-7-14(13)11-21(2)12-18(22)20-17-10-15(25(3,23)24)8-9-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1