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

Systemtic Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[[hexyl(mercapto)amino]-oxomethyl]amino]butyl ester IUPAC Name: 4-[[hexyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(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(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

Isomeric SMILES

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

InChI

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