2-dimethylaminoethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: 2-dimethylaminoethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: 2-dimethylaminoethyl 3-(tert-butoxycarbonylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-(mesitylsulfonylamino)propionic acid 2-dimethylaminoethyl ester Formula: C21H35N3O6S MolecularWeight: 457.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)OCCN(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)OCCN(C)C)C

InChI

InChI=1S/C21H35N3O6S/c1-14-11-15(2)18(16(3)12-14)31(27,28)23-17(19(25)29-10-9-24(7)8)13-22-20(26)30-21(4,5)6/h11-12,17,23H,9-10,13H2,1-8H3,(H,22,26)