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

Systemtic Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate Openeye Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CC3

InChI

InChI=1S/C20H28N2O5S/c1-20(2,3)16-6-8-17(9-7-16)28(25,26)22-12-10-21(11-13-22)18(23)14-27-19(24)15-4-5-15/h6-9,15H,4-5,10-14H2,1-3H3