methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-keto-2-(3-mesylanilino)ethyl]-methyl-ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-4-12-26-18-10-8-16(9-11-18)14-22(2)15-20(23)21-17-6-5-7-19(13-17)27(3,24)25/h4-11,13H,1,12,14-15H2,2-3H3,(H,21,23)/p+1