[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C23H30N2O5S/c1-18-10-12-20(13-11-18)31(28,29)24-15-14-22(27)30-17-21(26)25(23(2,3)4)16-19-8-6-5-7-9-19/h5-13,24H,14-17H2,1-4H3