(4-dimethylaminophenyl)methyl-ethyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-(2-mesylanilino)ethyl]ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C20H27N3O3S/c1-5-23(14-16-10-12-17(13-11-16)22(2)3)15-20(24)21-18-8-6-7-9-19(18)27(4,25)26/h6-13H,5,14-15H2,1-4H3,(H,21,24)/p+1