[2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-[4-ethoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(2,2-dimethylpropanoylamino)propanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-[4-ethoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 2-(pivaloylamino)propionic acid [2-(4-ethoxy-3-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)NC(=O)COC(=O)C(C)NC(=O)C(C)(C)C)S(=O)(=O)N2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O7S/c1-6-32-18-11-10-17(14-19(18)34(30,31)26-12-8-7-9-13-26)25-20(27)15-33-21(28)16(2)24-22(29)23(3,4)5/h10-11,14,16H,6-9,12-13,15H2,1-5H3,(H,24,29)(H,25,27)