[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]-m-anisyl-methyl-ammonium Formula: C18H22ClN2O4S+ MolecularWeight: 397.89628

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O4S/c1-21(11-13-5-4-6-14(9-13)25-2)12-18(22)20-17-10-15(26(3,23)24)7-8-16(17)19/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1