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

Systemtic Name: 3-[hexyl(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[hexyl(sulfanylcarbamoyl)amino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[hexyl-[(mercaptoamino)-oxomethyl]amino]propyl ester IUPAC Name: 3-[hexyl(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[hexyl(mercaptocarbamoyl)amino]propyl ester Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6S2/c1-3-4-5-6-16-29(25(32)27-36)17-7-18-35-23(30)20-10-12-21(13-11-20)26-24(31)28-37(33,34)22-14-8-19(2)9-15-22/h8-15,36H,3-7,16-18H2,1-2H3,(H,27,32)(H2,26,28,31)