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

Systemtic Name: 3-[propyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[propyl(sulfanylcarbamoyl)amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[(mercaptoamino)-oxomethyl]-propylamino]propyl ester IUPAC Name: 3-[propyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[mercaptocarbamoyl(propyl)amino]propyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S2/c1-3-12-26(22(29)24-33)13-5-14-32-20(27)17-6-4-7-18(15-17)23-21(28)25-34(30,31)19-10-8-16(2)9-11-19/h4,6-11,15,33H,3,5,12-14H2,1-2H3,(H,24,29)(H2,23,25,28)