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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H24N2O8S/c1-29-17-9-8-16(13-18(17)30-2)32(27,28)22-11-10-21(26)31-14-20(25)23-19(24)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12,14H2,1-2H3,(H,23,24,25)