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

Systemtic Name: (3R)-3-ethyl-3-methyl-5-oxidanylidene-5-[4-(phenylsulfonyl)piperazin-1-yl]pentanoate Openeye Name: (3R)-5-[4-(benzenesulfonyl)piperazin-1-yl]-3-ethyl-3-methyl-5-oxo-pentanoate CAS Name: (3R)-5-[4-(benzenesulfonyl)-1-piperazinyl]-3-ethyl-3-methyl-5-oxopentanoate IUPAC Name: (3R)-5-[4-(benzenesulfonyl)piperazin-1-yl]-3-ethyl-3-methyl-5-oxopentanoate Traditional Name: (3R)-5-(4-besylpiperazino)-3-ethyl-5-keto-3-methyl-valerate Formula: C18H25N2O5S- MolecularWeight: 381.4665

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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)/p-1/t18-/m1/s1