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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CCCOC(=O)C1=CC=C(C=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)13-4-14-31-19(26)16-7-9-17(10-8-16)22-20(27)24-33(29,30)18-11-5-15(2)6-12-18/h5-12,32H,3-4,13-14H2,1-2H3,(H,23,28)(H2,22,24,27)