4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoic acid Openeye Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoic acid CAS Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butanoic acid IUPAC Name: 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoic acid Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid Formula: C17H24N2O5S MolecularWeight: 368.44786

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-12-10-13(2)17(14(3)11-12)25(23,24)19-8-6-18(7-9-19)15(20)4-5-16(21)22/h10-11H,4-9H2,1-3H3,(H,21,22)