[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate

Systemtic Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CCC3

InChI

InChI=1S/C21H30N2O5S/c1-21(2,3)17-7-9-18(10-8-17)29(26,27)23-13-11-22(12-14-23)19(24)15-28-20(25)16-5-4-6-16/h7-10,16H,4-6,11-15H2,1-3H3