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

Systemtic Name: [2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methoxyethanoate Openeye Name: [2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methoxyacetate CAS Name: 2-methoxyacetic 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-methoxyacetate Traditional Name: 2-methoxyacetic acid [2-keto-2-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-4-15(2)16-5-7-17(8-6-16)28(24,25)21-11-9-20(10-12-21)18(22)13-27-19(23)14-26-3/h5-8,15H,4,9-14H2,1-3H3/t15-/m0/s1