tert-butyl 3-acetamido-4-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 3-acetamido-4-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-oxo-4-[4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]-1-piperidyl]butanoate CAS Name: 3-acetamido-4-[4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-piperidinyl]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 3-acetamido-4-keto-4-[4-[1-(2-tosylethyl)imidazol-2-yl]piperidino]butyric acid tert-butyl ester Formula: C27H38N4O6S MolecularWeight: 546.67882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)C

InChI

InChI=1S/C27H38N4O6S/c1-19-6-8-22(9-7-19)38(35,36)17-16-30-15-12-28-25(30)21-10-13-31(14-11-21)26(34)23(29-20(2)32)18-24(33)37-27(3,4)5/h6-9,12,15,21,23H,10-11,13-14,16-18H2,1-5H3,(H,29,32)