4,4'-bis(N-carbamoyl-4- methylbenzenesulfomide)diphenylmethane

Synonyms: "4,4'-bis(p-tolylsulfonylureido)diphenylmethane", "4,4'-Bis(N-carbamoyl-4-methylbenzensulfonamide)diphenylmethane", "N-[(4-methylphenyl)sulfonyl][(4-{[4-({N-[(4-methylphenyl)sulfonyl]carbamoyl}am ino)phenyl]methyl}phenyl)amino]carboxamide", "1-(4-methylphenyl)sulfonyl-3-[4-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]"

Source: is an alternative for bisphenol A in thermal paper.

Identifiers:

IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-[4-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CAS Number: 151882-81-4
PubChem ID: 3596056
InChiKey: XVSRGZPKJKLORS-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(C=C4)C

Structural Properties:

Molecular Formula: C₂₉H₂₈N₄O₆S₂
Molecular Weight: 592.7

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 6
Number of atoms different from hydrogen: 41

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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