2-[phenyl(sulfanylcarbamoyl)amino]ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 2-[phenyl(sulfanylcarbamoyl)amino]ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 2-[N-(sulfanylcarbamoyl)anilino]ethyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 2-(N-[(mercaptoamino)-oxomethyl]anilino)ethyl ester IUPAC Name: 2-[N-(sulfanylcarbamoyl)anilino]ethyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(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=CC(=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=CC(=C2)C(=O)OCCN(C3=CC=CC=C3)C(=O)NS

InChI

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