3-[ethyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 3-[ethyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[ethyl(sulfanylcarbamoyl)amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[ethyl-[(mercaptoamino)-oxomethyl]amino]propyl ester IUPAC Name: 3-[ethyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[ethyl(mercaptocarbamoyl)amino]propyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

Isomeric SMILES

CCN(CCCOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

InChI

InChI=1S/C21H26N4O6S2/c1-3-25(21(28)23-32)12-5-13-31-19(26)16-6-4-7-17(14-16)22-20(27)24-33(29,30)18-10-8-15(2)9-11-18/h4,6-11,14,32H,3,5,12-13H2,1-2H3,(H,23,28)(H2,22,24,27)