5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]valeric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-15(2)16-7-9-17(10-8-16)27(25,26)21-13-11-20(12-14-21)18(22)5-4-6-19(23)24/h7-10,15H,3-6,11-14H2,1-2H3,(H,23,24)/t15-/m0/s1