2-[phenyl(sulfanylcarbamoyl)amino]ethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 2-[phenyl(sulfanylcarbamoyl)amino]ethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 2-[N-(sulfanylcarbamoyl)anilino]ethyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 2-(N-[(mercaptoamino)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-[N-(sulfanylcarbamoyl)anilino]ethyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 2-[N-(mercaptocarbamoyl)anilino]ethyl ester Formula: C24H24N4O6S2 MolecularWeight: 528.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCN(C3=CC=CC=C3)C(=O)NS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCN(C3=CC=CC=C3)C(=O)NS

InChI

InChI=1S/C24H24N4O6S2/c1-17-7-13-21(14-8-17)36(32,33)27-23(30)25-19-11-9-18(10-12-19)22(29)34-16-15-28(24(31)26-35)20-5-3-2-4-6-20/h2-14,35H,15-16H2,1H3,(H,26,31)(H2,25,27,30)