[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H31N3O6S/c1-23(2,3)19-15-21(32-25-19)24-20(27)16-31-22(28)12-9-17-7-10-18(11-8-17)33(29,30)26-13-5-4-6-14-26/h7-8,10-11,15H,4-6,9,12-14,16H2,1-3H3,(H,24,27)