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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Openeye Name: [(1S)-2-amino-1-methyl-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 [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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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)OC(C)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O[C@@H](C)C(=O)N)C

InChI

InChI=1S/C20H29N3O6S/c1-13-11-14(2)19(15(3)12-13)30(27,28)23-9-7-22(8-10-23)17(24)5-6-18(25)29-16(4)20(21)26/h11-12,16H,5-10H2,1-4H3,(H2,21,26)/t16-/m0/s1