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

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(2-mesylanilino)ethyl]-p-anisyl-ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC=CC=C2S(=O)(=O)C)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC=CC=C2S(=O)(=O)C)C3CC3

InChI

InChI=1S/C20H24N2O4S/c1-26-17-11-7-15(8-12-17)13-22(16-9-10-16)14-20(23)21-18-5-3-4-6-19(18)27(2,24)25/h3-8,11-12,16H,9-10,13-14H2,1-2H3,(H,21,23)/p+1