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

Systemtic Name: cyclopropyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[2-keto-2-(3-mesylanilino)ethyl]ammonium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-16(2)18-9-7-17(8-10-18)14-24(20-11-12-20)15-22(25)23-19-5-4-6-21(13-19)28(3,26)27/h4-10,13,16,20H,11-12,14-15H2,1-3H3,(H,23,25)/p+1