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

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (4-tert-butylbenzyl)-[2-keto-2-(2-mesylanilino)ethyl]-methyl-ammonium Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-21(2,3)17-12-10-16(11-13-17)14-23(4)15-20(24)22-18-8-6-7-9-19(18)27(5,25)26/h6-13H,14-15H2,1-5H3,(H,22,24)/p+1