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

Systemtic Name: 4-[propyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[propyl(sulfanylcarbamoyl)amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(mercaptoamino)-oxomethyl]-propylamino]butyl ester IUPAC Name: 4-[propyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[mercaptocarbamoyl(propyl)amino]butyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

Isomeric SMILES

CCCN(CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

InChI

InChI=1S/C23H30N4O6S2/c1-3-14-27(23(30)25-34)15-4-5-16-33-21(28)18-8-10-19(11-9-18)24-22(29)26-35(31,32)20-12-6-17(2)7-13-20/h6-13,34H,3-5,14-16H2,1-2H3,(H,25,30)(H2,24,26,29)