[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-17(2)24(15-19-7-5-4-6-8-19)21(25)16-29-22(26)13-14-23-30(27,28)20-11-9-18(3)10-12-20/h4-12,17,23H,13-16H2,1-3H3