(3R)-3-ethyl-3-methyl-5-oxidanylidene-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid

Systemtic Name: (3R)-3-ethyl-3-methyl-5-oxidanylidene-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoic acid Openeye Name: (3R)-5-[4-(benzenesulfonyl)piperazin-1-yl]-3-ethyl-3-methyl-5-oxo-pentanoic acid CAS Name: (3R)-5-[4-(benzenesulfonyl)-1-piperazinyl]-3-ethyl-3-methyl-5-oxopentanoic acid IUPAC Name: (3R)-5-[4-(benzenesulfonyl)piperazin-1-yl]-3-ethyl-3-methyl-5-oxopentanoic acid Traditional Name: (3R)-5-(4-besylpiperazino)-3-ethyl-5-keto-3-methyl-valeric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC[C@](C)(CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-3-18(2,14-17(22)23)13-16(21)19-9-11-20(12-10-19)26(24,25)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,22,23)/t18-/m1/s1