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

Systemtic Name: 4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[4-[(1S)-1-methylpropyl]phenyl]sulfonylpiperazino]butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-3-14(2)15-4-6-16(7-5-15)26(24,25)20-12-10-19(11-13-20)17(21)8-9-18(22)23/h4-7,14H,3,8-13H2,1-2H3,(H,22,23)/t14-/m0/s1