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

Systemtic Name: 3-[methyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[methyl(sulfanylcarbamoyl)amino]propyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[(mercaptoamino)-oxomethyl]-methylamino]propyl ester IUPAC Name: 3-[methyl(sulfanylcarbamoyl)amino]propyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 3-[mercaptocarbamoyl(methyl)amino]propyl ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O6S2/c1-14-7-9-17(10-8-14)32(28,29)23-19(26)21-16-6-3-5-15(13-16)18(25)30-12-4-11-24(2)20(27)22-31/h3,5-10,13,31H,4,11-12H2,1-2H3,(H,22,27)(H2,21,23,26)