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

Systemtic Name: [[propyl(sulfanyl)carbamoyl]amino] 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: [[propyl(sulfanyl)carbamoyl]amino] 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid [[[mercapto(propyl)amino]-oxomethyl]amino] ester IUPAC Name: [[propyl(sulfanyl)carbamoyl]amino] 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid [[mercapto(propyl)carbamoyl]amino] ester Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

Isomeric SMILES

CCCN(C(=O)NOC(=O)C1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

InChI

InChI=1S/C19H22N4O6S2/c1-3-11-23(30)19(26)21-29-17(24)14-5-4-6-15(12-14)20-18(25)22-31(27,28)16-9-7-13(2)8-10-16/h4-10,12,30H,3,11H2,1-2H3,(H,21,26)(H2,20,22,25)