methyl 4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[(3,4-dimethylphenyl)sulfonylamino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzoate Traditional Name: 4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C20H24N2O5S/c1-14-4-9-18(12-15(14)2)28(25,26)22-11-10-19(23)21-13-16-5-7-17(8-6-16)20(24)27-3/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,23)