[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-tert-butylphenyl)sulfonylamino]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-tert-butylphenyl)sulfonylamino]propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)CNC(=O)COC(=O)CCNS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H30N2O5S/c1-14(2)12-20-17(22)13-26-18(23)10-11-21-27(24,25)16-8-6-15(7-9-16)19(3,4)5/h6-9,14,21H,10-13H2,1-5H3,(H,20,22)