(3S)-5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoate

Systemtic Name: (3S)-5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-methyl-5-oxidanylidene-pentanoate Openeye Name: (3S)-3-methyl-5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-5-oxo-pentanoate CAS Name: (3S)-5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-3-methyl-5-oxopentanoate IUPAC Name: (3S)-5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-methyl-5-oxopentanoate Traditional Name: (3S)-5-keto-3-methyl-5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]valerate Formula: C20H29N2O5S- MolecularWeight: 409.51966

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-4-16(3)17-5-7-18(8-6-17)28(26,27)22-11-9-21(10-12-22)19(23)13-15(2)14-20(24)25/h5-8,15-16H,4,9-14H2,1-3H3,(H,24,25)/p-1/t15-,16-/m0/s1