[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 4-oxo-4-tetralin-6-yl-butanoate CAS Name: 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate Traditional Name: 4-keto-4-tetralin-6-yl-butyric acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C21H28N2O6S/c1-30(27,28)23-12-10-22(11-13-23)20(25)15-29-21(26)9-8-19(24)18-7-6-16-4-2-3-5-17(16)14-18/h6-7,14H,2-5,8-13,15H2,1H3