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

Systemtic Name: 3-[[hexyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[[hexyl(sulfanyl)carbamoyl]amino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[[hexyl(mercapto)amino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[hexyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[[hexyl(mercapto)carbamoyl]amino]propyl ester Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6S2/c1-3-4-5-6-17-29(36)25(32)26-16-7-18-35-23(30)20-10-12-21(13-11-20)27-24(31)28-37(33,34)22-14-8-19(2)9-15-22/h8-15,36H,3-7,16-18H2,1-2H3,(H,26,32)(H2,27,28,31)