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

Systemtic Name: [2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-keto-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-5-16(4)17-6-8-18(9-7-17)28(25,26)22-12-10-21(11-13-22)19(23)14-27-20(24)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3/t16-/m0/s1