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

Systemtic Name: 4-[[propyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[propyl(sulfanyl)carbamoyl]amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[mercapto(propyl)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[propyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(propyl)carbamoyl]amino]butyl ester Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O6S2/c1-3-15-27(34)23(30)24-14-4-5-16-33-21(28)18-8-10-19(11-9-18)25-22(29)26-35(31,32)20-12-6-17(2)7-13-20/h6-13,34H,3-5,14-16H2,1-2H3,(H,24,30)(H2,25,26,29)