4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[1,1-dimethyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[2-methyl-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-keto-1,1-dimethyl-2-(4-methylpiperazino)ethyl]sulfonyl-3-phenyl-butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-19(2,18(24)21-11-9-20(3)10-12-21)27(25,26)14-16(13-17(22)23)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H,22,23)