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

Systemtic Name: methyl 4-chloranyl-3-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 4-chloro-3-[[[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-methoxy-3-morpholinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O7S/c1-28-17-6-4-13(12-18(17)31(26,27)23-7-9-30-10-8-23)19(24)22-16-11-14(20(25)29-2)3-5-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)