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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H28N2O7S/c1-29-19-11-10-18(15-20(19)30-2)32(27,28)24-14-12-22(26)31-16-21(25)23-13-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15,24H,6,9,12-14,16H2,1-2H3,(H,23,25)