[2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclopropanecarboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CC3

InChI

InChI=1S/C20H28N2O5S/c1-3-15(2)16-6-8-18(9-7-16)28(25,26)22-12-10-21(11-13-22)19(23)14-27-20(24)17-4-5-17/h6-9,15,17H,3-5,10-14H2,1-2H3/t15-/m0/s1