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

Systemtic Name: methyl 4-[[(4-chloranyl-3-methylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-chloro-3-methylsulfonyl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[(4-chloro-3-methylsulfonylphenyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chloro-3-methylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-chloro-3-mesyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C17H16ClNO5S MolecularWeight: 381.83064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H16ClNO5S/c1-24-17(21)12-5-3-11(4-6-12)10-19-16(20)13-7-8-14(18)15(9-13)25(2,22)23/h3-9H,10H2,1-2H3,(H,19,20)