(2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Openeye Name: (2-amino-2-oxo-ethyl) 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid (2-amino-2-keto-ethyl) ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)N)C

InChI

InChI=1S/C19H27N3O6S/c1-13-10-14(2)19(15(3)11-13)29(26,27)22-8-6-21(7-9-22)17(24)4-5-18(25)28-12-16(20)23/h10-11H,4-9,12H2,1-3H3,(H2,20,23)