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

Systemtic Name: methyl 4-[[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]methyl]benzoate CAS Name: 4-[[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]methyl]benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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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)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O6S/c1-28-20(25)15-4-2-14(3-5-15)13-22-19(24)16-6-7-17(21)18(12-16)30(26,27)23-8-10-29-11-9-23/h2-7,12H,8-11,13H2,1H3,(H,22,24)