[2,2-dimethyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-dimethyl-3-oxidanylidene-3-[(phenylmethyl)amino]propyl] 4-methylbenzenesulfonate Openeye Name: [3-(benzylamino)-2,2-dimethyl-3-oxo-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-dimethyl-3-oxo-3-[(phenylmethyl)amino]propyl] ester IUPAC Name: [3-(benzylamino)-2,2-dimethyl-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(benzylamino)-3-keto-2,2-dimethyl-propyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C19H23NO4S/c1-15-9-11-17(12-10-15)25(22,23)24-14-19(2,3)18(21)20-13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,20,21)