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

Systemtic Name: methyl 4-chloranyl-3-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 4-chloro-3-[[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23ClN2O6S/c1-3-14-4-5-15(13-19(14)31(27,28)24-8-10-30-11-9-24)20(25)23-18-12-16(21(26)29-2)6-7-17(18)22/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)