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

Systemtic Name: 4-[2-methyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]amino]propan-2-yl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[2-[(1-benzyl-4-piperidyl)amino]-1,1-dimethyl-2-oxo-ethyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[2-methyl-1-oxo-1-[[1-(phenylmethyl)-4-piperidinyl]amino]propan-2-yl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[1-[(1-benzylpiperidin-4-yl)amino]-2-methyl-1-oxopropan-2-yl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[2-[(1-benzyl-4-piperidyl)amino]-2-keto-1,1-dimethyl-ethyl]sulfonyl-3-phenyl-butyric acid Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H34N2O5S/c1-26(2,34(32,33)19-22(17-24(29)30)21-11-7-4-8-12-21)25(31)27-23-13-15-28(16-14-23)18-20-9-5-3-6-10-20/h3-12,22-23H,13-19H2,1-2H3,(H,27,31)(H,29,30)