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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6S2/c1-3-4-5-6-16-29(36)25(32)26-15-8-17-35-23(30)20-9-7-10-21(18-20)27-24(31)28-37(33,34)22-13-11-19(2)12-14-22/h7,9-14,18,36H,3-6,8,15-17H2,1-2H3,(H,26,32)(H2,27,28,31)