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

Systemtic Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[hexyl(mercapto)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[[hexyl(mercapto)carbamoyl]amino]butyl ester Formula: C26H36N4O6S2 MolecularWeight: 564.71724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O6S2/c1-3-4-5-7-18-30(37)26(33)27-17-6-8-19-36-24(31)21-11-13-22(14-12-21)28-25(32)29-38(34,35)23-15-9-20(2)10-16-23/h9-16,37H,3-8,17-19H2,1-2H3,(H,27,33)(H2,28,29,32)