[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCC(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H26N2O7S/c1-5-12(2)19-16(20)11-26-17(21)8-9-18-27(22,23)13-6-7-14(24-3)15(10-13)25-4/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,19,20)