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

Systemtic Name: 4-[methyl(sulfanylcarbamoyl)amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[methyl(sulfanylcarbamoyl)amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(mercaptoamino)-oxomethyl]-methylamino]butyl ester IUPAC Name: 4-[methyl(sulfanylcarbamoyl)amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[mercaptocarbamoyl(methyl)amino]butyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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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)OCCCCN(C)C(=O)NS

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S2/c1-15-8-10-18(11-9-15)33(29,30)24-20(27)22-17-7-5-6-16(14-17)19(26)31-13-4-3-12-25(2)21(28)23-32/h5-11,14,32H,3-4,12-13H2,1-2H3,(H,23,28)(H2,22,24,27)