methyl 4-[[3-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-chloro-4-(p-tolylsulfonylamino)benzoyl]amino]benzoate CAS Name: 4-[[[3-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate Traditional Name: 4-[[3-chloro-4-(tosylamino)benzoyl]amino]benzoic acid methyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-14-3-10-18(11-4-14)31(28,29)25-20-12-7-16(13-19(20)23)21(26)24-17-8-5-15(6-9-17)22(27)30-2/h3-13,25H,1-2H3,(H,24,26)