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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S2/c1-3-26(22(29)24-33)13-4-5-14-32-20(27)17-7-6-8-18(15-17)23-21(28)25-34(30,31)19-11-9-16(2)10-12-19/h6-12,15,33H,3-5,13-14H2,1-2H3,(H,24,29)(H2,23,25,28)