methyl 4-[2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[3-[(3,4-dimethoxyphenyl)sulfonylamino]-1-oxopropyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]ethyl]benzoic acid methyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C21H26N2O7S/c1-28-18-9-8-17(14-19(18)29-2)31(26,27)23-13-11-20(24)22-12-10-15-4-6-16(7-5-15)21(25)30-3/h4-9,14,23H,10-13H2,1-3H3,(H,22,24)