propan-2-yl 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propanoate Traditional Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]amino]propionic acid isopropyl ester Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC(=O)OC(C)C)C)C

InChI

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