methyl 5-[(4-bromophenyl)sulfonyl-morpholin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: methyl 5-[(4-bromophenyl)sulfonyl-morpholin-4-ylcarbonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: methyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[(4-bromophenyl)sulfonyl-[4-morpholinyl(oxo)methyl]amino]-2-methyl-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)sulfonyl-(morpholine-4-carbonyl)amino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[brosyl(morpholine-4-carbonyl)amino]-2-methyl-benzofuran-3-carboxylic acid methyl ester Formula: C22H21BrN2O7S MolecularWeight: 537.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)N3CCOCC3)S(=O)(=O)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C22H21BrN2O7S/c1-14-20(21(26)30-2)18-13-16(5-8-19(18)32-14)25(22(27)24-9-11-31-12-10-24)33(28,29)17-6-3-15(23)4-7-17/h3-8,13H,9-12H2,1-2H3