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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O6S2/c1-3-13-26(33)22(29)23-12-5-14-32-20(27)17-6-4-7-18(15-17)24-21(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,23,29)(H2,24,25,28)