[2,2,4-trimethyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-3-yl] benzenesulfonate

Systemtic Name: [2,2,4-trimethyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-3-yl] benzenesulfonate Openeye Name: [1-isopropyl-2,2-dimethyl-3-(4-methylanilino)-3-oxo-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [2,2,4-trimethyl-1-(4-methylanilino)-1-oxopentan-3-yl] ester IUPAC Name: [2,2,4-trimethyl-1-(4-methylanilino)-1-oxopentan-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [1-isopropyl-3-keto-2,2-dimethyl-3-(p-toluidino)propyl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)(C)C(C(C)C)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)(C)C(C(C)C)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-15(2)19(26-27(24,25)18-9-7-6-8-10-18)21(4,5)20(23)22-17-13-11-16(3)12-14-17/h6-15,19H,1-5H3,(H,22,23)