tert-butyl 4-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(mesitylsulfonylamino)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H33N3O5S/c1-15-13-16(2)19(17(3)14-15)30(27,28)22-8-7-18(25)23-9-11-24(12-10-23)20(26)29-21(4,5)6/h13-14,22H,7-12H2,1-6H3