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

Systemtic Name: 4-[hexyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[hexyl(sulfanylcarbamoyl)amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[hexyl-[(mercaptoamino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[hexyl(sulfanylcarbamoyl)amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[hexyl(mercaptocarbamoyl)amino]butyl ester Formula: C26H36N4O6S2 MolecularWeight: 564.71724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O6S2/c1-3-4-5-6-17-30(26(33)28-37)18-7-8-19-36-24(31)21-11-13-22(14-12-21)27-25(32)29-38(34,35)23-15-9-20(2)10-16-23/h9-16,37H,3-8,17-19H2,1-2H3,(H,28,33)(H2,27,29,32)