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

Systemtic Name: [2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] cyclobutanecarboxylate Openeye Name: [2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-2-oxo-ethyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic 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] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [2-keto-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3CCC3

InChI

InChI=1S/C21H30N2O5S/c1-3-16(2)17-7-9-19(10-8-17)29(26,27)23-13-11-22(12-14-23)20(24)15-28-21(25)18-5-4-6-18/h7-10,16,18H,3-6,11-15H2,1-2H3/t16-/m0/s1