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

Systemtic Name: methyl 4-oxidanylidene-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-oxo-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butanoate Traditional Name: 4-keto-4-(4-mesitylsulfonylpiperazino)butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13-11-14(2)18(15(3)12-13)26(23,24)20-9-7-19(8-10-20)16(21)5-6-17(22)25-4/h11-12H,5-10H2,1-4H3