4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(N-mercaptoanilino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[[phenyl(sulfanyl)carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(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=CC(=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=CC(=C2)C(=O)OCCCCNC(=O)N(C3=CC=CC=C3)S

InChI

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