3-[cyclohexyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 3-[cyclohexyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[cyclohexyl(sulfanylcarbamoyl)amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[cyclohexyl-[(mercaptoamino)-oxomethyl]amino]propyl ester IUPAC Name: 3-[cyclohexyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[cyclohexyl(mercaptocarbamoyl)amino]propyl ester Formula: C25H32N4O6S2 MolecularWeight: 548.67478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCN(C3CCCCC3)C(=O)NS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)OCCCN(C3CCCCC3)C(=O)NS

InChI

InChI=1S/C25H32N4O6S2/c1-18-11-13-22(14-12-18)37(33,34)28-24(31)26-20-8-5-7-19(17-20)23(30)35-16-6-15-29(25(32)27-36)21-9-3-2-4-10-21/h5,7-8,11-14,17,21,36H,2-4,6,9-10,15-16H2,1H3,(H,27,32)(H2,26,28,31)