4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(N-mercaptoanilino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(phenyl)carbamoyl]amino]butyl ester Formula: C26H28N4O6S2 MolecularWeight: 556.65372

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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)OCCCCNC(=O)N(C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCCNC(=O)N(C3=CC=CC=C3)S

InChI

InChI=1S/C26H28N4O6S2/c1-19-9-15-23(16-10-19)38(34,35)29-25(32)28-21-13-11-20(12-14-21)24(31)36-18-6-5-17-27-26(33)30(37)22-7-3-2-4-8-22/h2-4,7-16,37H,5-6,17-18H2,1H3,(H,27,33)(H2,28,29,32)