[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-mesylanilino)ethyl]-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)[NH2+]CC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C22H30N2O3S/c1-15(2)17-10-12-18(13-11-17)22(16(3)4)23-14-21(25)24-19-8-6-7-9-20(19)28(5,26)27/h6-13,15-16,22-23H,14H2,1-5H3,(H,24,25)/p+1/t22-/m0/s1