cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclopropyl-[2-keto-2-(3-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=C2)S(=O)(=O)C)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C3CC3

InChI

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