[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-(2,2-dimethylpropanoylamino)propanoate CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 3-(pivaloylamino)propionic acid [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C23H35N3O7S MolecularWeight: 497.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CCNC(=O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)CCNC(=O)C(C)(C)C

InChI

InChI=1S/C23H35N3O7S/c1-5-32-19-10-9-17(34(30,31)26-13-7-6-8-14-26)15-18(19)25-20(27)16-33-21(28)11-12-24-22(29)23(2,3)4/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,24,29)(H,25,27)