(3-morpholin-4-ylsulfonylphenyl)methyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H20ClNO6S/c1-14-18-12-16(22)5-6-19(18)29-20(14)21(24)28-13-15-3-2-4-17(11-15)30(25,26)23-7-9-27-10-8-23/h2-6,11-12H,7-10,13H2,1H3