[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C)C)NS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C17H26N2O5S/c1-12(16(21)24-11-15(20)19(5)6)18-25(22,23)14-9-7-13(8-10-14)17(2,3)4/h7-10,12,18H,11H2,1-6H3/t12-/m0/s1